#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1np0 s LEU 56 N 0.00 4.54 -0.21 0.00 1.43 -1.26 -4.76 118.68 118.43 1np0 s LEU 56 Ca 0.00 1.47 -0.08 0.00 -1.03 0.00 0.00 54.13 54.49 1np0 s LEU 56 Cb 0.00 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 43.15 1np0 s LEU 56 CO 0.00 0.22 0.45 0.86 0.23 0.00 0.00 176.35 178.11 1np0 s TRP 57 N -1.17 -0.83 0.72 0.29 -0.11 -1.26 -4.05 118.94 112.54 1np0 s TRP 57 Ca 0.34 1.59 -0.15 0.00 1.22 0.00 0.00 56.10 59.10 1np0 s TRP 57 Cb -0.21 0.36 0.04 0.00 -1.50 0.00 0.00 33.47 32.15 1np0 s TRP 57 CO 0.23 -0.48 1.18 -2.14 -4.62 0.00 0.00 176.95 171.12 1np0 s PRO 58 N 2.43 2.23 -0.05 5.86 0.02 -1.26 -4.76 135.00 139.46 1np0 s PRO 58 Ca -0.04 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 1np0 s PRO 58 Cb -0.11 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 1np0 s PRO 58 CO -0.14 -1.75 1.64 -1.17 -0.33 0.00 0.00 177.00 175.26 1np0 s LEU 59 N -5.18 4.32 0.83 -5.54 2.96 -1.26 -4.98 118.68 109.84 1np0 s LEU 59 Ca 0.72 2.24 -0.12 0.00 -0.22 0.00 0.00 54.13 56.75 1np0 s LEU 59 Cb -0.27 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 42.98 1np0 s LEU 59 CO 0.45 -0.91 1.17 -2.84 -1.32 0.00 0.00 176.35 172.89 1np0 s PRO 60 N 3.90 1.58 0.18 0.98 0.02 -1.26 -4.56 135.00 135.84 1np0 s PRO 60 Ca 0.73 1.59 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 1np0 s PRO 60 Cb -0.33 -1.79 0.17 0.00 0.02 0.00 0.00 34.50 32.57 1np0 s PRO 60 CO 0.29 -2.22 1.68 1.25 -0.33 0.00 0.00 177.00 177.68 1np0 h LEU 61 N -1.18 -0.24 -7.53 -5.54 5.85 -1.83 -3.41 115.31 101.43 1np0 h LEU 61 Ca -0.45 0.12 -0.37 0.00 0.84 0.00 0.00 57.88 58.02 1np0 h LEU 61 Cb 1.28 0.22 -0.36 0.00 0.37 0.00 0.00 40.66 42.16 1np0 h LEU 61 CO 0.46 -0.08 -0.75 -0.55 -0.34 0.00 0.00 178.44 177.18 1np0 s SER 62 N -5.25 0.76 -0.09 1.25 0.15 -0.02 -4.98 113.70 105.53 1np0 s SER 62 Ca -0.14 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1np0 s SER 62 Cb 0.16 -0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1np0 s SER 62 CO 0.72 -0.14 -0.07 -0.69 1.20 0.00 0.00 173.24 174.26 1np0 s VAL 63 N 1.40 0.88 -0.31 4.45 1.01 -1.26 -1.34 120.40 125.23 1np0 s VAL 63 Ca -0.04 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1np0 s VAL 63 Cb -0.13 -0.90 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1np0 s VAL 63 CO -0.03 0.33 0.03 -0.54 0.00 0.00 0.00 175.10 174.90 1np0 s LYS 64 N 1.47 1.41 -0.05 2.72 1.02 -0.03 -5.02 119.74 121.26 1np0 s LYS 64 Ca -0.00 -1.53 -0.03 0.00 0.02 0.00 0.00 55.97 54.42 1np0 s LYS 64 Cb -0.13 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1np0 s LYS 64 CO -0.05 -0.86 0.12 -1.64 -0.92 0.00 0.00 175.35 172.00 1np0 s MET 65 N 1.14 3.29 0.39 1.68 -1.94 -1.26 -1.15 119.30 121.45 1np0 s MET 65 Ca 0.06 -0.32 0.08 0.00 -1.71 0.00 0.00 55.69 53.80 1np0 s MET 65 Cb -0.19 -3.03 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 1np0 s MET 65 CO -0.11 0.70 0.21 0.95 -0.01 0.00 0.00 175.02 176.76 1np0 s THR 66 N -1.16 2.59 -2.08 2.05 -4.23 -0.59 -5.01 115.64 107.21 1np0 s THR 66 Ca 0.21 -1.62 0.13 0.00 -1.18 0.00 0.00 61.69 59.23 1np0 s THR 66 Cb -0.12 -2.99 0.33 0.00 1.34 0.00 0.00 72.50 71.05 1np0 s THR 66 CO 0.11 -0.05 1.36 -0.81 -0.54 0.00 0.00 174.62 174.69 1np0 n PRO 67 N -1.28 1.53 -2.58 3.99 -0.05 -1.26 -4.50 135.00 130.85 1np0 n PRO 67 Ca -0.01 -0.81 -0.43 0.00 -0.05 0.00 0.00 63.50 62.20 1np0 n PRO 67 Cb 0.63 -1.26 -0.02 0.00 -0.05 0.00 0.00 33.50 32.80 1np0 n PRO 67 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 1np0 s ASN 68 N -1.24 6.71 0.10 3.54 0.01 -1.26 -4.97 114.94 117.83 1np0 s ASN 68 Ca 0.22 0.74 -0.20 0.00 -0.71 0.00 0.00 52.86 52.91 1np0 s ASN 68 Cb 0.12 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.16 1np0 s ASN 68 CO 0.17 -1.13 0.62 -0.76 -1.51 0.00 0.00 177.10 174.49 1np0 s LEU 69 N 4.26 4.53 0.29 0.60 1.43 -1.26 -0.72 118.68 127.81 1np0 s LEU 69 Ca 0.49 1.35 0.08 0.00 -1.03 0.00 0.00 54.13 55.02 1np0 s LEU 69 Cb -0.10 -3.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.03 1np0 s LEU 69 CO 0.26 0.24 -0.09 -0.76 0.23 0.00 0.00 176.35 176.23 1np0 s LEU 70 N -1.20 2.58 0.16 1.79 1.43 0.10 -4.89 118.68 118.65 1np0 s LEU 70 Ca 0.32 -1.16 0.08 0.00 -1.03 0.00 0.00 54.13 52.34 1np0 s LEU 70 Cb -0.20 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1np0 s LEU 70 CO 0.21 -0.24 -0.18 -1.00 0.23 0.00 0.00 176.35 175.37 1np0 s HIS 71 N -2.82 1.78 -0.01 0.29 3.76 0.70 -1.14 115.29 117.85 1np0 s HIS 71 Ca 0.30 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 1np0 s HIS 71 Cb 0.02 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.81 1np0 s HIS 71 CO 0.13 0.31 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.66 1np0 s LEU 72 N -2.66 2.04 -0.32 0.89 1.02 -0.88 -0.91 118.68 117.86 1np0 s LEU 72 Ca 0.15 -0.30 -0.05 0.00 0.02 0.00 0.00 54.13 53.95 1np0 s LEU 72 Cb -0.05 -0.83 0.04 0.00 0.02 0.00 0.00 46.19 45.36 1np0 s LEU 72 CO 0.06 0.20 0.07 0.00 0.02 0.00 0.00 176.35 176.70 1np0 s ALA 73 N -0.39 2.98 0.13 4.21 0.00 -1.26 -4.47 121.76 122.97 1np0 s ALA 73 Ca 0.06 -1.69 -0.27 0.00 0.00 0.00 0.00 51.96 50.05 1np0 s ALA 73 Cb -0.06 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.83 1np0 s ALA 73 CO -0.01 -1.24 1.47 -1.35 0.00 0.00 0.00 175.76 174.64 1np0 h PRO 74 N 8.17 -0.07 -0.41 0.00 0.11 -1.99 -0.41 132.00 137.40 1np0 h PRO 74 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1np0 h PRO 74 Cb 1.08 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1np0 h PRO 74 CO 0.59 -0.05 0.00 -1.91 -0.21 0.00 0.00 178.00 176.42 1np0 n GLU 75 N -4.98 1.19 -2.28 1.05 2.13 -1.26 -2.98 120.64 113.50 1np0 n GLU 75 Ca 0.01 -0.21 0.01 0.00 0.66 0.00 0.00 57.16 57.62 1np0 n GLU 75 Cb 0.24 -1.24 0.04 0.00 0.27 0.00 0.00 31.44 30.75 1np0 n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1np0 n ASN 76 N -0.19 1.47 -3.87 4.31 5.15 -0.27 -5.05 115.26 116.81 1np0 n ASN 76 Ca 0.02 -2.10 -0.20 0.00 -0.60 0.00 0.00 54.58 51.70 1np0 n ASN 76 Cb 0.15 -0.41 -0.16 0.00 -0.53 0.00 0.00 39.78 38.83 1np0 n ASN 76 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1np0 s PHE 77 N -2.40 0.67 0.13 1.20 5.36 -0.57 -4.57 117.98 117.79 1np0 s PHE 77 Ca 0.30 -0.17 0.08 0.00 -0.96 0.00 0.00 56.93 56.19 1np0 s PHE 77 Cb 0.35 -0.64 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 1np0 s PHE 77 CO -0.09 -0.19 -0.20 0.71 -1.46 0.00 0.00 175.22 173.99 1np0 s TYR 78 N 1.03 1.83 -0.12 10.12 2.02 -1.12 -4.96 117.35 126.15 1np0 s TYR 78 Ca -0.09 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1np0 s TYR 78 Cb -0.14 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 1np0 s TYR 78 CO -0.01 0.26 -0.21 0.42 -1.57 0.00 0.00 175.55 174.44 1np0 s ILE 79 N -1.51 2.22 0.27 2.71 1.01 -1.26 -1.38 121.20 123.26 1np0 s ILE 79 Ca 0.11 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 1np0 s ILE 79 Cb -0.08 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1np0 s ILE 79 CO 0.05 0.55 0.62 -0.94 0.00 0.00 0.00 174.94 175.22 1np0 s SER 80 N 0.53 -0.16 0.11 3.58 1.04 -0.80 -4.97 113.70 113.04 1np0 s SER 80 Ca -0.13 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 1np0 s SER 80 Cb -0.17 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.56 1np0 s SER 80 CO 0.04 -1.27 1.07 -1.00 0.98 0.00 0.00 173.24 173.06 1np0 s HIS 81 N -3.89 3.62 0.58 5.02 3.76 -1.26 -0.43 115.29 122.69 1np0 s HIS 81 Ca 0.16 1.59 -0.17 0.00 -0.15 0.00 0.00 55.06 56.50 1np0 s HIS 81 Cb -0.04 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.37 1np0 s HIS 81 CO 0.08 -0.49 1.07 -1.54 -0.85 0.00 0.00 174.74 173.01 1np0 s SER 82 N 0.32 5.80 0.53 1.40 1.04 -0.58 -4.79 113.70 117.43 1np0 s SER 82 Ca 0.51 1.90 0.20 0.00 0.48 0.00 0.00 55.95 59.04 1np0 s SER 82 Cb -0.27 -2.55 1.41 0.00 0.10 0.00 0.00 66.02 64.72 1np0 s SER 82 CO 0.32 -1.15 2.16 1.55 0.98 0.00 0.00 173.24 177.09 1np0 h PRO 83 N 0.68 0.00 0.00 4.02 0.13 -1.96 -2.49 132.00 132.39 1np0 h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1np0 h PRO 83 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1np0 h PRO 83 CO 0.57 0.02 0.00 0.27 -0.23 0.00 0.00 178.00 178.64 1np0 n ASN 84 N -4.29 0.00 -4.77 1.44 6.94 -1.26 -4.94 115.26 108.39 1np0 n ASN 84 Ca -0.03 -0.40 -0.38 0.00 -0.02 0.00 0.00 54.58 53.75 1np0 n ASN 84 Cb 0.11 -0.20 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 1np0 n ASN 84 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1np0 s SER 85 N -2.40 6.56 0.03 0.53 0.15 -0.94 -4.85 113.70 112.77 1np0 s SER 85 Ca 0.34 2.38 0.24 0.00 0.70 0.00 0.00 55.95 59.61 1np0 s SER 85 Cb 0.21 -2.62 1.01 0.00 -1.71 0.00 0.00 66.02 62.91 1np0 s SER 85 CO 0.43 -0.65 1.77 0.35 1.20 0.00 0.00 173.24 176.34 1np0 n THR 86 N 0.16 0.38 -4.09 6.45 -2.24 -0.69 -4.77 114.28 109.49 1np0 n THR 86 Ca 0.04 0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.62 1np0 n THR 86 Cb 0.46 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 1np0 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1np0 s ALA 87 N -3.02 3.55 0.00 6.98 0.00 -1.26 -4.72 121.76 123.28 1np0 s ALA 87 Ca 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1np0 s ALA 87 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1np0 s ALA 87 CO 0.45 0.49 0.00 0.41 0.00 0.00 0.00 175.76 177.11 1np0 n GLY 88 N -0.37 2.62 0.51 0.00 0.00 -1.26 -4.88 105.19 101.81 1np0 n GLY 88 Ca -0.08 -1.14 0.33 0.00 0.00 0.00 0.00 46.02 45.13 1np0 n GLY 88 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1np0 h PRO 89 N 0.00 0.00 0.00 1.61 0.11 -2.00 0.13 132.00 131.85 1np0 h PRO 89 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1np0 h PRO 89 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1np0 h PRO 89 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 1np0 h SER 90 N 0.00 0.00 -1.39 -2.05 4.64 -2.02 -3.40 113.55 109.33 1np0 h SER 90 Ca 0.51 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.27 1np0 h SER 90 Cb 2.08 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 64.09 1np0 h SER 90 CO -0.01 0.00 1.33 0.00 -0.87 0.00 0.00 176.83 177.28 1np0 h THR 92 N 6.67 0.79 -0.22 0.00 2.02 -1.86 -1.87 112.91 118.44 1np0 h THR 92 Ca 0.07 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1np0 h THR 92 Cb 1.02 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1np0 h THR 92 CO 1.37 0.10 -0.02 0.25 0.37 0.00 0.00 175.52 177.59 1np0 h LEU 93 N 0.55 -0.12 -0.33 2.58 6.46 -1.88 -0.44 115.31 122.13 1np0 h LEU 93 Ca 0.37 0.05 -0.19 0.00 -0.12 0.00 0.00 57.88 57.99 1np0 h LEU 93 Cb 0.45 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1np0 h LEU 93 CO -0.31 -0.03 -0.63 -0.07 -0.62 0.00 0.00 178.44 176.78 1np0 h LEU 94 N 0.05 0.83 -0.65 2.25 3.38 -1.89 -2.31 115.31 116.97 1np0 h LEU 94 Ca 0.10 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1np0 h LEU 94 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1np0 h LEU 94 CO -0.19 1.25 0.38 -0.33 0.09 0.00 0.00 178.44 179.64 1np0 h GLU 95 N 0.54 0.88 -0.46 1.13 4.39 -1.09 0.30 114.58 120.27 1np0 h GLU 95 Ca -0.01 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1np0 h GLU 95 Cb 1.22 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1np0 h GLU 95 CO 0.13 0.64 -0.15 0.93 -1.16 0.00 0.00 179.01 179.40 1np0 h GLU 96 N 0.88 0.87 -0.31 2.33 4.39 -1.11 -2.63 114.58 118.99 1np0 h GLU 96 Ca 0.23 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1np0 h GLU 96 Cb -0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1np0 h GLU 96 CO -0.04 0.96 -0.11 0.00 -1.16 0.00 0.00 179.01 178.66 1np0 h ALA 97 N 1.05 0.44 -0.47 3.43 0.00 -1.03 -1.87 119.26 120.81 1np0 h ALA 97 Ca 0.12 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1np0 h ALA 97 Cb 0.68 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1np0 h ALA 97 CO 0.05 0.30 0.19 0.74 0.00 0.00 0.00 179.25 180.53 1np0 h PHE 98 N 0.40 0.35 -0.21 0.00 0.04 -0.37 -1.09 116.94 116.06 1np0 h PHE 98 Ca 0.07 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1np0 h PHE 98 Cb 0.62 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1np0 h PHE 98 CO 0.06 0.14 0.05 -0.09 -0.60 0.00 0.00 178.31 177.87 1np0 h ARG 99 N 0.39 0.34 -0.12 1.51 2.43 -1.41 -2.22 114.38 115.30 1np0 h ARG 99 Ca 0.22 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1np0 h ARG 99 Cb 0.19 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1np0 h ARG 99 CO -0.20 0.47 -0.46 0.07 -1.51 0.00 0.00 179.97 178.34 1np0 h ARG 100 N 0.15 0.29 0.00 0.20 0.11 -1.17 -2.75 114.38 111.21 1np0 h ARG 100 Ca 0.07 -0.16 -0.11 0.00 0.10 0.00 0.00 59.98 59.88 1np0 h ARG 100 Cb 0.29 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.36 1np0 h ARG 100 CO 0.00 0.70 -0.52 1.88 0.10 0.00 0.00 179.97 182.13 1np0 h TYR 101 N 0.24 0.00 -0.42 4.08 0.05 -1.17 -1.05 116.97 118.71 1np0 h TYR 101 Ca 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1np0 h TYR 101 Cb 0.91 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 1np0 h TYR 101 CO 0.02 0.52 0.25 1.25 -1.05 0.00 0.00 178.16 179.15 1np0 h HIS 102 N 0.00 0.55 -0.76 4.88 2.76 -1.23 -0.09 115.15 121.27 1np0 h HIS 102 Ca -0.01 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1np0 h HIS 102 Cb 0.95 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 1np0 h HIS 102 CO 0.00 0.39 0.34 0.78 -1.30 0.00 0.00 177.93 178.14 1np0 h GLY 103 N 0.55 1.18 0.99 5.26 0.00 -1.15 -1.90 103.07 108.00 1np0 h GLY 103 Ca 0.15 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1np0 h GLY 103 CO -0.03 0.56 -0.34 -0.97 0.00 0.00 0.00 176.54 175.77 1np0 h TYR 104 N 1.08 0.88 -0.68 5.60 0.05 -0.87 0.42 116.97 123.45 1np0 h TYR 104 Ca 0.26 -0.28 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1np0 h TYR 104 Cb 0.15 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1np0 h TYR 104 CO 0.01 1.04 0.26 0.82 -1.05 0.00 0.00 178.16 179.25 1np0 h ILE 105 N 0.47 1.25 -0.00 -2.88 2.04 -0.90 -3.34 117.51 114.14 1np0 h ILE 105 Ca 0.04 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1np0 h ILE 105 Cb 0.92 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1np0 h ILE 105 CO 0.08 0.31 -0.26 0.49 0.00 0.00 0.00 178.15 178.78 1np0 n PHE 106 N -4.37 0.00 0.00 1.37 3.72 -0.73 -4.98 117.46 112.48 1np0 n PHE 106 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1np0 n PHE 106 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1np0 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1np0 n GLY 107 N 1.01 0.00 0.00 1.37 0.00 0.15 -5.04 105.19 102.68 1np0 n GLY 107 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1np0 n GLY 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1np0 n THR 122 N 0.36 0.00 -3.88 2.61 -1.04 -1.26 -5.10 114.28 105.97 1np0 n THR 122 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1np0 n THR 122 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1np0 n THR 122 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1np0 s GLN 123 N 0.00 3.57 -0.25 -2.82 0.74 -1.26 0.25 119.66 119.89 1np0 s GLN 123 Ca 0.00 -0.53 -0.26 0.00 0.05 0.00 0.00 55.36 54.62 1np0 s GLN 123 Cb 0.00 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1np0 s GLN 123 CO 0.00 -0.14 0.91 0.08 -0.55 0.00 0.00 175.29 175.59 1np0 s VAL 124 N 1.41 4.76 -0.13 1.34 1.01 -0.08 -4.52 120.40 124.19 1np0 s VAL 124 Ca 0.05 1.69 0.18 0.00 0.00 0.00 0.00 61.98 63.90 1np0 s VAL 124 Cb -0.15 -4.20 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 1np0 s VAL 124 CO 0.01 -0.15 0.41 0.00 0.00 0.00 0.00 175.10 175.37 1np0 n GLN 125 N 6.18 0.66 -3.80 2.72 1.13 0.10 -4.57 117.38 119.80 1np0 n GLN 125 Ca 0.08 0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 1np0 n GLN 125 Cb 0.47 -1.62 -0.08 0.00 0.11 0.00 0.00 30.24 29.11 1np0 n GLN 125 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1np0 s GLN 126 N -2.81 0.69 -0.26 -1.09 -0.21 -1.21 -2.78 119.66 111.99 1np0 s GLN 126 Ca -0.07 -0.45 -0.02 0.00 0.02 0.00 0.00 55.36 54.84 1np0 s GLN 126 Cb 0.08 0.30 0.02 0.00 1.00 0.00 0.00 33.01 34.41 1np0 s GLN 126 CO 0.84 -0.20 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.60 1np0 s LEU 127 N -1.79 3.30 -0.15 2.90 2.96 -0.48 -0.51 118.68 124.92 1np0 s LEU 127 Ca -0.09 -0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 52.83 1np0 s LEU 127 Cb -0.03 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1np0 s LEU 127 CO -0.01 -0.14 0.28 -0.76 -1.32 0.00 0.00 176.35 174.40 1np0 s LEU 128 N 1.35 4.27 -0.22 -0.68 1.43 0.71 -1.90 118.68 123.64 1np0 s LEU 128 Ca 0.00 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1np0 s LEU 128 Cb -0.17 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1np0 s LEU 128 CO -0.03 0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 175.98 1np0 s VAL 129 N 0.24 3.56 -0.17 -1.59 1.01 0.43 -0.47 120.40 123.41 1np0 s VAL 129 Ca 0.16 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1np0 s VAL 129 Cb -0.13 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1np0 s VAL 129 CO 0.04 0.41 -0.19 -0.55 0.00 0.00 0.00 175.10 174.81 1np0 s SER 130 N 1.42 3.23 -0.23 3.32 0.15 0.80 -1.52 113.70 120.88 1np0 s SER 130 Ca 0.05 -0.61 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 1np0 s SER 130 Cb -0.14 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 1np0 s SER 130 CO -0.01 0.02 0.08 -0.63 1.20 0.00 0.00 173.24 173.90 1np0 s ILE 131 N 1.19 4.61 -0.09 6.45 1.01 -1.26 -1.97 121.20 131.14 1np0 s ILE 131 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 1np0 s ILE 131 Cb -0.14 -3.14 -0.17 0.00 0.01 0.00 0.00 42.46 39.03 1np0 s ILE 131 CO -0.10 0.37 0.70 0.74 0.00 0.00 0.00 174.94 176.65 1np0 h THR 132 N 5.30 1.06 -5.28 2.92 2.02 -1.36 -1.84 112.91 115.72 1np0 h THR 132 Ca -0.37 -1.54 -0.26 0.00 0.77 0.00 0.00 66.41 65.02 1np0 h THR 132 Cb 1.18 1.90 0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1np0 h THR 132 CO 0.61 0.32 -0.05 0.18 0.37 0.00 0.00 175.52 176.95 1np0 n LEU 133 N -4.78 0.00 -4.69 2.58 4.77 -0.80 -4.78 117.00 109.29 1np0 n LEU 133 Ca -0.07 -1.33 -0.52 0.00 -0.03 0.00 0.00 56.01 54.05 1np0 n LEU 133 Cb 0.29 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1np0 n LEU 133 CO 0.24 -0.58 1.42 0.00 -1.33 0.00 0.00 177.39 177.14 1np0 n GLN 134 N -1.58 1.74 -0.30 3.23 6.02 -1.26 -4.71 117.38 120.53 1np0 n GLN 134 Ca 0.07 0.64 0.04 0.00 -0.01 0.00 0.00 57.00 57.74 1np0 n GLN 134 Cb 0.31 -2.42 0.18 0.00 1.02 0.00 0.00 30.24 29.34 1np0 n GLN 134 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1np0 h SER 135 N 8.35 0.65 -0.56 1.08 4.64 -1.84 -3.45 113.55 122.43 1np0 h SER 135 Ca -0.48 0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 60.74 1np0 h SER 135 Cb 1.29 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 1np0 h SER 135 CO 0.95 0.35 -0.16 -0.62 -0.87 0.00 0.00 176.83 176.48 1np0 n GLU 136 N -4.77 -0.58 -0.33 4.77 1.02 -1.26 -1.43 120.64 118.07 1np0 n GLU 136 Ca 0.15 0.69 0.12 0.00 -0.02 0.00 0.00 57.16 58.10 1np0 n GLU 136 Cb 0.32 -4.56 0.34 0.00 -0.02 0.00 0.00 31.44 27.51 1np0 n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1np0 n ASP 138 N -4.67 3.07 -5.02 0.00 8.00 -1.26 -4.68 116.55 112.00 1np0 n ASP 138 Ca 0.21 -1.94 -0.18 0.00 0.71 0.00 0.00 54.79 53.59 1np0 n ASP 138 Cb 0.53 -0.27 0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1np0 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1np0 s ALA 139 N -1.46 4.57 0.00 2.24 0.00 -0.77 -5.11 121.76 121.23 1np0 s ALA 139 Ca 0.38 -1.80 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 1np0 s ALA 139 Cb 0.21 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1np0 s ALA 139 CO 0.30 -0.46 0.21 -0.06 0.00 0.00 0.00 175.76 175.75 1np0 s PHE 140 N -2.45 3.55 0.72 0.00 0.08 -1.26 -5.04 117.98 113.57 1np0 s PHE 140 Ca 0.57 0.41 -0.11 0.00 0.12 0.00 0.00 56.93 57.92 1np0 s PHE 140 Cb -0.09 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1np0 s PHE 140 CO 0.35 0.63 1.07 -1.25 -0.10 0.00 0.00 175.22 175.92 1np0 s PRO 141 N -1.95 2.77 0.35 0.24 0.04 -1.26 -5.07 135.00 130.13 1np0 s PRO 141 Ca 0.28 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.11 1np0 s PRO 141 Cb -0.13 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1np0 s PRO 141 CO 0.19 -1.17 0.40 0.54 0.04 0.00 0.00 177.00 177.00 1np0 s ASN 142 N -3.96 1.40 0.50 6.66 2.20 -1.26 -4.83 114.94 115.65 1np0 s ASN 142 Ca 0.58 -1.66 0.24 0.00 -0.94 0.00 0.00 52.86 51.08 1np0 s ASN 142 Cb -0.13 0.64 1.32 0.00 -2.00 0.00 0.00 41.25 41.07 1np0 s ASN 142 CO 0.54 -1.22 1.94 -0.29 -2.94 0.00 0.00 177.10 175.13 1np0 h ILE 143 N 2.08 0.70 -0.59 0.54 6.09 -1.97 -2.01 117.51 122.35 1np0 h ILE 143 Ca -0.26 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1np0 h ILE 143 Cb 1.23 0.56 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1np0 h ILE 143 CO 0.37 0.02 0.00 -1.54 -3.07 0.00 0.00 178.15 173.93 1np0 n SER 144 N -4.38 3.97 -4.69 2.19 3.41 -1.26 -4.84 113.62 108.02 1np0 n SER 144 Ca 0.14 -2.27 -0.42 0.00 -0.26 0.00 0.00 58.87 56.06 1np0 n SER 144 Cb 0.69 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1np0 n SER 144 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1np0 s SER 145 N -0.89 6.72 -0.32 4.04 0.01 -0.76 -4.95 113.70 117.55 1np0 s SER 145 Ca 0.44 2.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.75 1np0 s SER 145 Cb 0.27 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 1np0 s SER 145 CO 0.24 -0.79 1.42 -0.62 0.41 0.00 0.00 173.24 173.90 1np0 s ASP 146 N 1.98 6.47 -0.18 2.44 -1.08 -1.26 -4.88 116.67 120.16 1np0 s ASP 146 Ca 0.69 1.17 0.16 0.00 -0.52 0.00 0.00 52.55 54.05 1np0 s ASP 146 Cb -0.37 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.15 1np0 s ASP 146 CO 0.30 -1.26 1.49 -0.62 0.52 0.00 0.00 175.17 175.60 1np0 n GLU 147 N 7.68 3.38 -2.67 4.34 1.02 -1.26 -3.05 120.64 130.09 1np0 n GLU 147 Ca 0.16 -2.88 -0.32 0.00 -0.02 0.00 0.00 57.16 54.11 1np0 n GLU 147 Cb 0.47 -1.91 -0.04 0.00 -0.02 0.00 0.00 31.44 29.93 1np0 n GLU 147 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1np0 s SER 148 N -1.61 6.68 0.22 1.62 1.04 -1.26 -4.32 113.70 116.07 1np0 s SER 148 Ca 0.44 1.46 -0.21 0.00 0.48 0.00 0.00 55.95 58.12 1np0 s SER 148 Cb 0.35 -2.46 0.04 0.00 0.10 0.00 0.00 66.02 64.05 1np0 s SER 148 CO 0.11 -0.45 0.64 -0.72 0.98 0.00 0.00 173.24 173.80 1np0 s TYR 149 N -2.40 -0.33 -0.03 5.02 -0.85 -0.32 -4.05 117.35 114.39 1np0 s TYR 149 Ca 0.57 -0.00 0.03 0.00 -0.52 0.00 0.00 57.07 57.15 1np0 s TYR 149 Cb -0.10 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.85 1np0 s TYR 149 CO 0.26 -1.03 -0.11 0.95 -1.52 0.00 0.00 175.55 174.10 1np0 s THR 150 N -3.84 0.93 -0.17 -3.49 -4.23 0.22 -1.24 115.64 103.83 1np0 s THR 150 Ca 0.06 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1np0 s THR 150 Cb -0.03 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 73.01 1np0 s THR 150 CO -0.03 0.28 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.93 1np0 s LEU 151 N 0.09 2.29 -0.38 4.79 0.20 0.28 -0.89 118.68 125.07 1np0 s LEU 151 Ca -0.02 -0.57 -0.02 0.00 0.69 0.00 0.00 54.13 54.21 1np0 s LEU 151 Cb -0.08 -1.52 0.09 0.00 -0.43 0.00 0.00 46.19 44.25 1np0 s LEU 151 CO 0.01 0.04 0.14 -0.76 -0.29 0.00 0.00 176.35 175.49 1np0 s LEU 152 N 1.07 4.89 -0.47 -0.68 1.43 0.99 -0.72 118.68 125.19 1np0 s LEU 152 Ca -0.01 -1.86 -0.20 0.00 -1.03 0.00 0.00 54.13 51.03 1np0 s LEU 152 Cb -0.14 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1np0 s LEU 152 CO -0.06 -0.46 0.62 -0.69 0.23 0.00 0.00 176.35 175.99 1np0 s VAL 153 N 1.14 4.87 0.24 -1.59 1.01 0.69 -0.76 120.40 126.00 1np0 s VAL 153 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1np0 s VAL 153 Cb -0.22 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1np0 s VAL 153 CO -0.04 -0.68 0.44 -1.59 0.00 0.00 0.00 175.10 173.23 1np0 s LYS 154 N 2.68 1.51 -0.13 2.72 0.00 -1.26 -1.95 119.74 123.31 1np0 s LYS 154 Ca 0.18 -1.28 -0.07 0.00 0.00 0.00 0.00 55.97 54.80 1np0 s LYS 154 Cb -0.17 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.07 1np0 s LYS 154 CO 0.15 -0.62 0.13 -2.00 0.00 0.00 0.00 175.35 173.01 1np0 s GLU 155 N -4.03 3.53 0.00 1.78 2.12 -1.26 -3.26 118.70 117.59 1np0 s GLU 155 Ca 0.24 -0.17 0.25 0.00 0.36 0.00 0.00 54.97 55.65 1np0 s GLU 155 Cb 0.00 -3.20 0.46 0.00 0.26 0.00 0.00 34.13 31.66 1np0 s GLU 155 CO 0.09 0.69 1.38 -0.35 -0.54 0.00 0.00 175.26 176.53 1np0 n PRO 156 N 2.26 0.67 -4.07 4.30 -0.04 -1.26 -5.01 135.00 131.86 1np0 n PRO 156 Ca -0.19 -0.45 -0.34 0.00 -0.04 0.00 0.00 63.50 62.48 1np0 n PRO 156 Cb 0.54 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 1np0 n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1np0 s VAL 157 N -2.64 2.73 0.30 0.52 1.01 -1.20 0.01 120.40 121.12 1np0 s VAL 157 Ca 0.19 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1np0 s VAL 157 Cb 0.18 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 1np0 s VAL 157 CO 0.60 0.48 0.74 0.00 0.00 0.00 0.00 175.10 176.93 1np0 s ALA 158 N 1.32 3.34 -0.08 5.51 0.00 0.34 -4.31 121.76 127.87 1np0 s ALA 158 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1np0 s ALA 158 Cb -0.14 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1np0 s ALA 158 CO -0.07 0.32 -0.17 0.08 0.00 0.00 0.00 175.76 175.92 1np0 s VAL 159 N -1.85 1.53 -0.24 0.00 1.01 0.06 -0.21 120.40 120.71 1np0 s VAL 159 Ca 0.51 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1np0 s VAL 159 Cb -0.12 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.92 1np0 s VAL 159 CO 0.18 0.44 -0.07 -0.22 0.00 0.00 0.00 175.10 175.44 1np0 s LEU 160 N 0.59 3.13 -0.11 3.92 2.96 0.38 -0.00 118.68 129.55 1np0 s LEU 160 Ca -0.15 -0.87 0.03 0.00 -0.22 0.00 0.00 54.13 52.92 1np0 s LEU 160 Cb -0.16 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1np0 s LEU 160 CO 0.05 -0.12 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.01 1np0 s LYS 161 N 1.32 3.15 -0.02 1.98 2.20 -0.06 -0.14 119.74 128.16 1np0 s LYS 161 Ca 0.00 -0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 54.74 1np0 s LYS 161 Cb -0.16 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 1np0 s LYS 161 CO -0.05 0.21 0.15 0.00 -0.36 0.00 0.00 175.35 175.30 1np0 s ALA 162 N 0.30 -0.36 0.36 3.13 0.00 -0.83 -0.61 121.76 123.76 1np0 s ALA 162 Ca -0.15 0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1np0 s ALA 162 Cb -0.17 -0.04 0.69 0.00 0.00 0.00 0.00 23.12 23.60 1np0 s ALA 162 CO 0.07 -0.16 1.94 -0.91 0.00 0.00 0.00 175.76 176.71 1np0 h ASN 163 N 4.89 0.49 -5.33 0.00 2.35 -1.87 -1.38 115.58 114.73 1np0 h ASN 163 Ca -0.29 -0.06 -0.25 0.00 -0.55 0.00 0.00 56.30 55.15 1np0 h ASN 163 Cb 1.20 -0.13 -0.15 0.00 0.05 0.00 0.00 38.32 39.29 1np0 h ASN 163 CO 0.40 0.49 -0.63 -0.13 -1.65 0.00 0.00 177.43 175.92 1np0 s ARG 164 N -5.17 1.17 0.42 0.81 1.81 -1.26 -1.91 118.95 114.82 1np0 s ARG 164 Ca -0.08 -1.61 0.13 0.00 -1.72 0.00 0.00 55.73 52.46 1np0 s ARG 164 Cb 0.16 0.15 0.98 0.00 -0.45 0.00 0.00 34.95 35.80 1np0 s ARG 164 CO 0.75 -0.33 1.95 -0.24 -0.68 0.00 0.00 175.30 176.75 1np0 h VAL 165 N 2.64 0.87 -0.46 3.52 3.04 -1.55 -2.57 116.25 121.73 1np0 h VAL 165 Ca -0.36 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 1np0 h VAL 165 Cb 1.24 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1np0 h VAL 165 CO 0.56 0.09 0.18 -0.50 -1.01 0.00 0.00 177.57 176.89 1np0 h TRP 166 N 0.48 0.71 -0.35 3.17 4.06 -1.82 -2.22 115.95 119.99 1np0 h TRP 166 Ca 0.33 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 61.14 1np0 h TRP 166 Cb 0.63 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1np0 h TRP 166 CO -0.00 0.61 -0.13 0.78 -3.56 0.00 0.00 178.44 176.14 1np0 h GLY 167 N 0.61 0.67 1.11 1.49 0.00 -1.38 -2.78 103.07 102.78 1np0 h GLY 167 Ca 0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1np0 h GLY 167 CO -0.01 0.45 0.51 0.00 0.00 0.00 0.00 176.54 177.49 1np0 h ALA 168 N 1.30 1.27 -0.69 3.60 0.00 -1.31 -0.89 119.26 122.52 1np0 h ALA 168 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1np0 h ALA 168 Cb 0.55 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1np0 h ALA 168 CO 0.03 0.62 0.19 -0.07 0.00 0.00 0.00 179.25 180.03 1np0 h LEU 169 N 1.20 1.01 -0.32 0.00 3.38 -1.13 -1.38 115.31 118.07 1np0 h LEU 169 Ca 0.31 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1np0 h LEU 169 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1np0 h LEU 169 CO -0.06 0.96 -0.21 0.03 0.09 0.00 0.00 178.44 179.25 1np0 h ARG 170 N 1.03 0.71 -0.36 1.13 2.47 -1.32 -2.80 114.38 115.25 1np0 h ARG 170 Ca 0.22 -0.34 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 1np0 h ARG 170 Cb 0.32 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 1np0 h ARG 170 CO -0.00 0.95 0.03 0.78 0.56 0.00 0.00 179.97 182.28 1np0 h GLY 171 N 0.48 0.59 0.96 0.04 0.00 -0.97 -1.90 103.07 102.27 1np0 h GLY 171 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1np0 h GLY 171 CO 0.06 0.32 0.20 1.41 0.00 0.00 0.00 176.54 178.52 1np0 h LEU 172 N 0.53 0.59 0.21 3.11 3.38 -1.17 0.12 115.31 122.08 1np0 h LEU 172 Ca 0.12 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1np0 h LEU 172 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1np0 h LEU 172 CO 0.01 0.57 -0.27 -0.08 0.09 0.00 0.00 178.44 178.76 1np0 h GLU 173 N 0.57 -0.51 -0.83 1.13 4.57 -1.17 -1.30 114.58 117.03 1np0 h GLU 173 Ca 0.15 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.48 1np0 h GLU 173 Cb 0.15 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 28.77 1np0 h GLU 173 CO -0.02 -0.34 0.45 1.15 -1.18 0.00 0.00 179.01 179.08 1np0 h THR 174 N -0.53 0.83 -0.81 0.32 2.02 -1.16 -0.24 112.91 113.34 1np0 h THR 174 Ca 0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1np0 h THR 174 Cb 0.52 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1np0 h THR 174 CO -0.09 0.13 0.42 0.15 0.37 0.00 0.00 175.52 176.50 1np0 h PHE 175 N 0.72 1.12 -0.19 3.16 3.57 -0.44 -1.88 116.94 122.99 1np0 h PHE 175 Ca 0.42 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1np0 h PHE 175 Cb 0.48 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1np0 h PHE 175 CO -0.07 0.78 -0.06 0.66 -2.23 0.00 0.00 178.31 177.39 1np0 h SER 176 N 1.13 0.26 1.27 0.41 4.64 0.12 -2.41 113.55 118.98 1np0 h SER 176 Ca 0.28 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1np0 h SER 176 Cb 0.05 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1np0 h SER 176 CO -0.04 0.37 0.00 1.56 -0.87 0.00 0.00 176.83 177.84 1np0 h GLN 177 N 0.28 0.00 0.00 4.77 4.20 -0.71 -3.17 115.11 120.48 1np0 h GLN 177 Ca 0.06 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1np0 h GLN 177 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1np0 h GLN 177 CO 0.01 0.00 -0.91 -0.07 -0.67 0.00 0.00 178.83 177.19 1np0 h LEU 178 N 0.00 0.00 -9.56 1.46 3.38 -1.13 -3.44 115.31 106.01 1np0 h LEU 178 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1np0 h LEU 178 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1np0 h LEU 178 CO 0.00 0.36 0.34 -0.69 0.09 0.00 0.00 178.44 178.53 1np0 s VAL 179 N -3.07 4.53 0.07 1.22 1.01 -1.19 -4.52 120.40 118.45 1np0 s VAL 179 Ca 0.01 2.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.95 1np0 s VAL 179 Cb 0.08 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1np0 s VAL 179 CO 0.77 0.32 0.10 -0.72 0.00 0.00 0.00 175.10 175.57 1np0 s TYR 180 N -0.01 0.30 -0.14 5.22 1.13 -0.18 -4.97 117.35 118.70 1np0 s TYR 180 Ca 0.46 -0.76 -0.12 0.00 -1.41 0.00 0.00 57.07 55.24 1np0 s TYR 180 Cb -0.23 -0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 40.39 1np0 s TYR 180 CO 0.29 -0.46 0.25 -0.65 -2.51 0.00 0.00 175.55 172.46 1np0 s GLN 181 N -3.77 4.03 0.27 -3.49 -0.21 -1.26 0.35 119.66 115.58 1np0 s GLN 181 Ca 0.05 0.04 -0.05 0.00 0.02 0.00 0.00 55.36 55.42 1np0 s GLN 181 Cb 0.06 -3.35 0.06 0.00 1.00 0.00 0.00 33.01 30.78 1np0 s GLN 181 CO -0.10 0.42 0.34 -0.40 -2.12 0.00 0.00 175.29 173.43 1np0 n ASP 182 N 2.99 -0.27 0.27 5.90 5.68 -0.29 -4.86 116.55 125.97 1np0 n ASP 182 Ca -0.15 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.25 1np0 n ASP 182 Cb 0.53 -0.27 0.80 0.00 -1.14 0.00 0.00 41.12 41.04 1np0 n ASP 182 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1np0 h SER 183 N -0.69 0.00 -0.66 -1.12 0.02 -1.99 -2.16 113.55 106.95 1np0 h SER 183 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1np0 h SER 183 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1np0 h SER 183 CO 0.08 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.55 1np0 n TYR 184 N -4.13 1.46 -0.59 3.45 4.01 -1.26 -4.93 117.16 115.17 1np0 n TYR 184 Ca -0.02 -0.59 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 1np0 n TYR 184 Cb 0.12 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1np0 n TYR 184 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1np0 n GLY 185 N 1.20 0.98 3.67 2.72 0.00 -0.81 -5.03 105.19 107.91 1np0 n GLY 185 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1np0 n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1np0 s THR 186 N -3.26 4.03 0.01 2.61 2.01 -1.26 -4.65 115.64 115.13 1np0 s THR 186 Ca 0.00 1.32 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 1np0 s THR 186 Cb 0.00 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 1np0 s THR 186 CO 0.00 -0.06 1.52 -0.36 -0.69 0.00 0.00 174.62 175.02 1np0 s PHE 187 N 3.00 2.58 0.07 4.92 0.08 -1.26 -1.14 117.98 126.24 1np0 s PHE 187 Ca 0.60 0.57 0.02 0.00 0.12 0.00 0.00 56.93 58.24 1np0 s PHE 187 Cb -0.26 -3.79 -0.03 0.00 -0.57 0.00 0.00 43.02 38.36 1np0 s PHE 187 CO 0.21 -3.09 -0.08 0.99 -0.10 0.00 0.00 175.22 173.15 1np0 s THR 188 N 2.75 0.68 -0.08 0.64 2.01 0.15 -2.07 115.64 119.73 1np0 s THR 188 Ca 0.68 -1.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1np0 s THR 188 Cb -0.34 -1.09 0.03 0.00 0.01 0.00 0.00 72.50 71.11 1np0 s THR 188 CO 0.28 -0.56 0.34 -0.51 -0.69 0.00 0.00 174.62 173.49 1np0 s ILE 189 N -2.26 0.03 0.15 1.82 2.07 -0.29 -1.01 121.20 121.71 1np0 s ILE 189 Ca -0.00 -0.22 -0.25 0.00 -1.41 0.00 0.00 60.65 58.76 1np0 s ILE 189 Cb -0.04 -0.57 -0.08 0.00 0.13 0.00 0.00 42.46 41.90 1np0 s ILE 189 CO -0.01 -0.12 0.77 0.20 -1.91 0.00 0.00 174.94 173.86 1np0 s ASN 190 N -0.56 7.36 0.16 4.50 -0.87 -1.26 0.00 114.94 124.27 1np0 s ASN 190 Ca -0.07 1.61 -0.31 0.00 -1.57 0.00 0.00 52.86 52.52 1np0 s ASN 190 Cb -0.04 -2.49 -0.10 0.00 -0.02 0.00 0.00 41.25 38.61 1np0 s ASN 190 CO 0.02 0.19 1.50 -0.70 -2.57 0.00 0.00 177.10 175.55 1np0 s GLU 191 N -1.01 4.25 0.22 -0.60 2.12 0.10 -4.88 118.70 118.90 1np0 s GLU 191 Ca 0.36 2.28 -0.23 0.00 0.36 0.00 0.00 54.97 57.74 1np0 s GLU 191 Cb -0.23 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.03 1np0 s GLU 191 CO 0.26 -0.54 0.77 -1.54 -0.54 0.00 0.00 175.26 173.67 1np0 s SER 192 N 1.02 -0.29 -0.06 -1.70 1.04 -0.82 -1.55 113.70 111.34 1np0 s SER 192 Ca 0.67 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 1np0 s SER 192 Cb -0.42 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1np0 s SER 192 CO 0.33 -1.14 -0.02 -0.89 0.98 0.00 0.00 173.24 172.50 1np0 s THR 193 N -3.69 0.45 -0.06 2.02 2.01 -0.30 -0.23 115.64 115.85 1np0 s THR 193 Ca 0.10 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1np0 s THR 193 Cb -0.04 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1np0 s THR 193 CO 0.02 0.25 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.39 1np0 s ILE 194 N 1.61 1.56 -0.11 1.82 1.01 0.10 -0.85 121.20 126.33 1np0 s ILE 194 Ca -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1np0 s ILE 194 Cb -0.13 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1np0 s ILE 194 CO -0.04 0.45 -0.19 -0.63 0.00 0.00 0.00 174.94 174.53 1np0 s ILE 195 N 0.16 1.79 -0.03 2.92 1.01 -0.45 -0.56 121.20 126.04 1np0 s ILE 195 Ca -0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 1np0 s ILE 195 Cb -0.14 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1np0 s ILE 195 CO 0.04 0.50 0.26 -0.62 0.00 0.00 0.00 174.94 175.12 1np0 s ASP 196 N 0.75 -0.16 -0.07 3.58 2.15 -0.37 -0.84 116.67 121.71 1np0 s ASP 196 Ca -0.10 0.14 -0.29 0.00 0.43 0.00 0.00 52.55 52.72 1np0 s ASP 196 Cb -0.16 0.36 0.10 0.00 -0.30 0.00 0.00 42.92 42.92 1np0 s ASP 196 CO 0.01 -0.34 0.86 -0.94 -0.17 0.00 0.00 175.17 174.59 1np0 s SER 197 N -0.96 -0.46 0.43 -0.34 1.04 -1.26 -1.17 113.70 110.99 1np0 s SER 197 Ca -0.10 0.35 -0.21 0.00 0.48 0.00 0.00 55.95 56.46 1np0 s SER 197 Cb -0.05 0.41 -0.11 0.00 0.10 0.00 0.00 66.02 66.37 1np0 s SER 197 CO 0.03 -0.53 0.96 -2.16 0.98 0.00 0.00 173.24 172.52 1np0 s PRO 198 N -1.84 4.20 0.06 4.02 0.04 -1.26 -4.68 135.00 135.54 1np0 s PRO 198 Ca -0.02 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.98 1np0 s PRO 198 Cb -0.01 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 1np0 s PRO 198 CO -0.00 -0.06 1.44 -0.09 0.04 0.00 0.00 177.00 178.33 1np0 h ARG 199 N 1.93 0.40 -6.21 4.56 2.43 -0.73 -3.45 114.38 113.31 1np0 h ARG 199 Ca -0.49 -0.16 -0.57 0.00 -0.81 0.00 0.00 59.98 57.95 1np0 h ARG 199 Cb 1.19 -0.02 -0.22 0.00 -0.42 0.00 0.00 29.97 30.50 1np0 h ARG 199 CO 0.61 0.67 -0.83 -0.06 -1.51 0.00 0.00 179.97 178.85 1np0 s PHE 200 N -4.67 1.82 -0.16 2.20 0.08 -1.00 -5.06 117.98 111.19 1np0 s PHE 200 Ca -0.14 -0.42 0.20 0.00 0.12 0.00 0.00 56.93 56.70 1np0 s PHE 200 Cb 0.06 -1.00 -0.11 0.00 -0.57 0.00 0.00 43.02 41.41 1np0 s PHE 200 CO 0.75 0.22 0.84 -1.13 -0.10 0.00 0.00 175.22 175.79 1np0 n SER 201 N 1.06 0.70 -4.35 1.36 3.41 -1.06 -4.70 113.62 110.04 1np0 n SER 201 Ca -0.19 0.29 -0.45 0.00 -0.26 0.00 0.00 58.87 58.25 1np0 n SER 201 Cb 0.54 0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 65.01 1np0 n SER 201 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1np0 s HIS 202 N -3.19 3.24 -0.39 7.33 5.65 -0.47 -4.93 115.29 122.54 1np0 s HIS 202 Ca -0.03 -1.09 0.01 0.00 0.25 0.00 0.00 55.06 54.20 1np0 s HIS 202 Cb 0.10 -3.50 0.12 0.00 -1.18 0.00 0.00 32.58 28.12 1np0 s HIS 202 CO 0.82 -0.92 0.17 1.03 -0.65 0.00 0.00 174.74 175.19 1np0 s ARG 203 N 1.66 1.13 0.35 2.88 0.52 -1.25 -0.47 118.95 123.77 1np0 s ARG 203 Ca 0.04 -1.69 0.09 0.00 -0.52 0.00 0.00 55.73 53.65 1np0 s ARG 203 Cb -0.27 -2.34 -0.06 0.00 0.52 0.00 0.00 34.95 32.80 1np0 s ARG 203 CO 0.05 -1.08 -0.04 0.20 0.02 0.00 0.00 175.30 174.45 1np0 s GLY 204 N 0.83 2.20 -0.12 -3.53 0.00 -0.61 -0.73 107.32 105.36 1np0 s GLY 204 Ca 0.14 -2.08 0.02 0.00 0.00 0.00 0.00 44.72 42.81 1np0 s GLY 204 CO -0.09 -2.00 -0.18 -0.42 0.00 0.00 0.00 173.10 170.41 1np0 s ILE 205 N -2.59 1.70 -0.14 0.90 -1.09 -0.82 -0.92 121.20 118.24 1np0 s ILE 205 Ca 0.34 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.83 1np0 s ILE 205 Cb 0.03 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.34 1np0 s ILE 205 CO 0.18 0.48 0.38 -0.22 -1.23 0.00 0.00 174.94 174.53 1np0 s LEU 206 N 0.86 4.26 0.19 2.97 0.20 -0.47 -0.57 118.68 126.12 1np0 s LEU 206 Ca -0.08 0.66 0.09 0.00 0.69 0.00 0.00 54.13 55.49 1np0 s LEU 206 Cb -0.15 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.04 1np0 s LEU 206 CO -0.01 0.06 -0.13 0.27 -0.29 0.00 0.00 176.35 176.25 1np0 s ILE 207 N 0.52 3.01 -0.27 6.68 -4.36 -0.47 -2.15 121.20 124.15 1np0 s ILE 207 Ca 0.21 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 1np0 s ILE 207 Cb -0.14 -2.48 0.08 0.00 1.25 0.00 0.00 42.46 41.17 1np0 s ILE 207 CO 0.07 -0.12 0.02 -0.62 0.24 0.00 0.00 174.94 174.54 1np0 s ASP 208 N -2.81 3.94 -0.13 4.36 -1.08 -1.25 -0.82 116.67 118.86 1np0 s ASP 208 Ca 0.24 -1.44 0.17 0.00 -0.52 0.00 0.00 52.55 51.00 1np0 s ASP 208 Cb -0.09 -1.07 0.68 0.00 -1.46 0.00 0.00 42.92 40.98 1np0 s ASP 208 CO 0.14 -0.33 1.59 0.35 0.52 0.00 0.00 175.17 177.44 1np0 n THR 209 N 4.71 2.00 -0.12 1.71 -2.24 -0.97 -4.27 114.28 115.10 1np0 n THR 209 Ca -0.06 -1.32 -0.25 0.00 -2.27 0.00 0.00 64.05 60.15 1np0 n THR 209 Cb 0.43 0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 1np0 n THR 209 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1np0 n SER 210 N 0.74 1.77 -0.35 3.42 2.88 -1.25 -3.75 113.62 117.07 1np0 n SER 210 Ca 0.24 0.31 -0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1np0 n SER 210 Cb 0.91 -0.73 0.13 0.00 -0.75 0.00 0.00 64.21 63.76 1np0 n SER 210 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1np0 h ARG 211 N -0.90 1.17 -3.51 -1.46 -0.00 -1.86 -3.33 114.38 104.50 1np0 h ARG 211 Ca -0.57 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.98 58.59 1np0 h ARG 211 Cb 1.49 -0.26 -0.30 0.00 0.00 0.00 0.00 29.97 30.89 1np0 h ARG 211 CO -0.34 0.77 -0.67 -1.01 0.00 0.00 0.00 179.97 178.72 1np0 s HIS 212 N -6.09 -0.05 0.30 3.04 3.76 -1.26 -4.87 115.29 110.13 1np0 s HIS 212 Ca -0.13 0.21 -0.29 0.00 -0.15 0.00 0.00 55.06 54.70 1np0 s HIS 212 Cb 0.18 -0.08 -0.10 0.00 1.11 0.00 0.00 32.58 33.69 1np0 s HIS 212 CO 0.81 -0.08 1.26 -0.47 -0.85 0.00 0.00 174.74 175.42 1np0 s TYR 213 N 0.59 3.19 -0.17 1.40 5.04 -1.25 -4.03 117.35 122.13 1np0 s TYR 213 Ca -0.05 1.45 -0.01 0.00 -2.44 0.00 0.00 57.07 56.02 1np0 s TYR 213 Cb -0.07 -3.58 -0.00 0.00 0.35 0.00 0.00 41.96 38.66 1np0 s TYR 213 CO -0.02 -1.58 -0.13 -0.51 -1.34 0.00 0.00 175.55 171.96 1np0 s LEU 214 N -1.47 2.54 0.59 6.97 1.43 -1.26 -4.70 118.68 122.78 1np0 s LEU 214 Ca 0.49 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 1np0 s LEU 214 Cb -0.38 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1np0 s LEU 214 CO 0.48 0.06 1.10 -2.65 0.23 0.00 0.00 176.35 175.57 1np0 n PRO 215 N 4.25 1.10 -0.34 1.29 -0.02 -1.26 -4.84 135.00 135.19 1np0 n PRO 215 Ca -0.19 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 1np0 n PRO 215 Cb 0.51 -2.31 0.29 0.00 -0.02 0.00 0.00 33.50 31.98 1np0 n PRO 215 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1np0 h VAL 216 N 0.71 0.71 -0.60 -1.45 2.07 -1.99 -2.37 116.25 113.33 1np0 h VAL 216 Ca -0.49 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 66.89 1np0 h VAL 216 Cb 1.35 -0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 1np0 h VAL 216 CO 0.53 0.13 0.17 0.50 0.02 0.00 0.00 177.57 178.92 1np0 h LYS 217 N 0.73 0.31 0.00 1.57 3.64 -2.00 -0.58 116.57 120.25 1np0 h LYS 217 Ca 0.54 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.84 1np0 h LYS 217 Cb 0.82 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1np0 h LYS 217 CO -0.38 0.21 -0.32 0.97 -2.27 0.00 0.00 179.45 177.65 1np0 h ILE 218 N 0.32 0.63 -0.55 2.00 2.10 -1.79 -1.36 117.51 118.87 1np0 h ILE 218 Ca 0.31 -1.59 -0.10 0.00 1.08 0.00 0.00 64.86 64.57 1np0 h ILE 218 Cb 0.44 2.08 -0.02 0.00 -1.09 0.00 0.00 36.82 38.23 1np0 h ILE 218 CO -0.36 0.32 -0.03 0.40 -1.08 0.00 0.00 178.15 177.39 1np0 h ILE 219 N 0.00 1.27 -0.53 2.19 2.04 -1.15 -1.76 117.51 119.56 1np0 h ILE 219 Ca -0.00 -1.16 -0.11 0.00 1.00 0.00 0.00 64.86 64.58 1np0 h ILE 219 Cb 1.05 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1np0 h ILE 219 CO 0.04 0.41 -0.11 -0.07 0.00 0.00 0.00 178.15 178.43 1np0 h LEU 220 N 0.87 1.00 -0.98 1.44 3.38 -0.70 -1.96 115.31 118.37 1np0 h LEU 220 Ca 0.15 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1np0 h LEU 220 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1np0 h LEU 220 CO 0.03 1.12 0.24 0.11 0.09 0.00 0.00 178.44 180.03 1np0 h LYS 221 N 0.89 0.97 -0.53 1.13 1.57 -1.23 -1.81 116.57 117.56 1np0 h LYS 221 Ca 0.14 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1np0 h LYS 221 Cb 0.67 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1np0 h LYS 221 CO 0.05 0.81 0.31 1.15 -0.57 0.00 0.00 179.45 181.20 1np0 h THR 222 N 0.95 1.17 -0.51 -0.16 2.02 -1.06 -0.59 112.91 114.73 1np0 h THR 222 Ca 0.22 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1np0 h THR 222 Cb 0.22 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1np0 h THR 222 CO -0.02 0.18 0.19 -0.07 0.37 0.00 0.00 175.52 176.17 1np0 h LEU 223 N 0.72 0.67 -0.20 2.58 3.38 -1.08 0.13 115.31 121.52 1np0 h LEU 223 Ca 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1np0 h LEU 223 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1np0 h LEU 223 CO -0.03 0.62 0.07 0.44 0.09 0.00 0.00 178.44 179.63 1np0 h ASP 224 N 0.73 0.28 -0.98 -0.43 3.32 -0.75 -0.88 116.42 117.71 1np0 h ASP 224 Ca 0.17 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1np0 h ASP 224 Cb 0.17 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1np0 h ASP 224 CO -0.01 0.38 0.65 0.00 -1.72 0.00 0.00 179.24 178.53 1np0 h ALA 225 N 0.91 1.32 -0.34 3.45 0.00 -0.79 -1.49 119.26 122.32 1np0 h ALA 225 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1np0 h ALA 225 Cb 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1np0 h ALA 225 CO -0.00 0.62 0.20 0.52 0.00 0.00 0.00 179.25 180.58 1np0 h MET 226 N 1.30 0.46 -0.89 0.00 2.86 -0.51 -1.95 114.93 116.20 1np0 h MET 226 Ca 0.37 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.01 1np0 h MET 226 Cb -0.11 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.40 1np0 h MET 226 CO -0.09 0.35 0.57 0.00 1.06 0.00 0.00 176.91 178.80 1np0 h ALA 227 N 1.08 1.20 0.00 6.32 0.00 -0.77 0.12 119.26 127.22 1np0 h ALA 227 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1np0 h ALA 227 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1np0 h ALA 227 CO -0.02 0.39 -0.10 0.74 0.00 0.00 0.00 179.25 180.26 1np0 h PHE 228 N 1.09 0.00 -0.20 0.00 0.04 -0.87 -2.57 116.94 114.43 1np0 h PHE 228 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1np0 h PHE 228 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1np0 h PHE 228 CO -0.02 0.10 0.00 0.09 -0.60 0.00 0.00 178.31 177.88 1np0 n ASN 229 N -3.96 2.81 -2.35 2.17 3.02 -0.68 -4.74 115.26 111.52 1np0 n ASN 229 Ca -0.02 -1.83 -0.19 0.00 -0.03 0.00 0.00 54.58 52.51 1np0 n ASN 229 Cb 0.19 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1np0 n ASN 229 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1np0 n LYS 230 N 1.04 -2.40 -2.80 3.52 5.02 0.29 -4.59 118.16 118.24 1np0 n LYS 230 Ca 0.13 0.90 -0.34 0.00 -2.02 0.00 0.00 58.31 56.98 1np0 n LYS 230 Cb 0.47 -5.50 -0.07 0.00 -0.02 0.00 0.00 35.03 29.92 1np0 n LYS 230 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1np0 s PHE 231 N -3.00 3.34 0.00 2.13 0.40 -0.36 -4.97 117.98 115.52 1np0 s PHE 231 Ca 0.08 1.63 0.00 0.00 -0.60 0.00 0.00 56.93 58.04 1np0 s PHE 231 Cb -0.04 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.62 1np0 s PHE 231 CO 0.10 -0.11 0.61 0.27 0.70 0.00 0.00 175.22 176.79 1np0 n ASN 232 N -0.50 0.47 -3.78 1.36 6.94 0.09 -4.39 115.26 115.44 1np0 n ASN 232 Ca 0.06 -1.23 -0.20 0.00 -0.02 0.00 0.00 54.58 53.20 1np0 n ASN 232 Cb 0.53 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.78 1np0 n ASN 232 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1np0 s VAL 233 N -0.23 0.23 -0.44 3.53 1.01 -1.00 -0.48 120.40 123.02 1np0 s VAL 233 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 1np0 s VAL 233 Cb 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 36.05 1np0 s VAL 233 CO 0.00 0.20 0.44 -0.22 0.00 0.00 0.00 175.10 175.51 1np0 s LEU 234 N 1.53 5.03 -0.74 3.92 2.96 0.25 -1.94 118.68 129.68 1np0 s LEU 234 Ca -0.02 -0.84 -0.22 0.00 -0.22 0.00 0.00 54.13 52.83 1np0 s LEU 234 Cb -0.13 -2.33 0.08 0.00 0.50 0.00 0.00 46.19 44.31 1np0 s LEU 234 CO -0.03 -0.61 1.04 -2.28 -1.32 0.00 0.00 176.35 173.15 1np0 s HIS 235 N 2.06 2.72 -0.71 5.38 5.65 0.27 -0.79 115.29 129.86 1np0 s HIS 235 Ca 0.10 -0.69 -0.20 0.00 0.25 0.00 0.00 55.06 54.53 1np0 s HIS 235 Cb -0.19 -4.34 0.11 0.00 -1.18 0.00 0.00 32.58 26.98 1np0 s HIS 235 CO 0.12 -1.67 0.89 -0.46 -0.65 0.00 0.00 174.74 172.97 1np0 s TRP 236 N 3.98 2.98 -1.28 3.88 -0.11 -0.01 -1.36 118.94 127.01 1np0 s TRP 236 Ca 0.26 -1.01 -0.19 0.00 1.22 0.00 0.00 56.10 56.39 1np0 s TRP 236 Cb -0.13 -4.15 0.05 0.00 -1.50 0.00 0.00 33.47 27.73 1np0 s TRP 236 CO 0.06 -1.43 1.77 1.58 -4.62 0.00 0.00 176.95 174.31 1np0 n HIS 237 N 6.65 4.37 0.04 5.86 -0.00 -0.00 -1.51 115.22 130.62 1np0 n HIS 237 Ca 0.02 -2.63 -0.08 0.00 -0.00 0.00 0.00 57.72 55.03 1np0 n HIS 237 Cb 0.45 -2.64 0.07 0.00 -0.00 0.00 0.00 29.99 27.88 1np0 n HIS 237 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 1np0 h ILE 238 N 5.66 1.35 -3.65 3.57 2.10 -1.80 -2.58 117.51 122.15 1np0 h ILE 238 Ca 0.41 -1.89 -0.44 0.00 1.08 0.00 0.00 64.86 64.02 1np0 h ILE 238 Cb 0.88 1.89 -0.19 0.00 -1.09 0.00 0.00 36.82 38.31 1np0 h ILE 238 CO 1.42 0.58 -0.77 0.68 -1.08 0.00 0.00 178.15 178.98 1np0 s VAL 239 N -3.87 1.38 0.00 2.19 -7.23 -1.26 -3.86 120.40 107.75 1np0 s VAL 239 Ca -0.06 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1np0 s VAL 239 Cb 0.11 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1np0 s VAL 239 CO 0.83 -0.34 0.00 -0.67 -0.31 0.00 0.00 175.10 174.61 1np0 n ASP 240 N 0.70 0.00 -0.21 4.85 -0.08 -1.16 -4.63 116.55 116.01 1np0 n ASP 240 Ca -0.17 -0.31 -0.06 0.00 -1.51 0.00 0.00 54.79 52.74 1np0 n ASP 240 Cb 0.56 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.06 1np0 n ASP 240 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1np0 h ASP 241 N 0.00 0.72 0.01 1.67 3.32 -1.81 -3.31 116.42 117.02 1np0 h ASP 241 Ca 0.00 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 1np0 h ASP 241 Cb 0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1np0 h ASP 241 CO 0.00 0.57 -0.42 1.56 -1.72 0.00 0.00 179.24 179.23 1np0 h GLN 242 N 0.81 0.51 -2.26 3.56 7.50 -1.90 -1.87 115.11 121.46 1np0 h GLN 242 Ca 0.22 -0.27 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1np0 h GLN 242 Cb -0.02 0.01 -0.17 0.00 0.05 0.00 0.00 27.48 27.35 1np0 h GLN 242 CO -0.04 0.84 0.28 -1.54 -1.50 0.00 0.00 178.83 176.88 1np0 s SER 243 N -6.86 -0.56 -0.66 1.46 1.04 -1.24 -4.85 113.70 102.03 1np0 s SER 243 Ca -0.07 0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.79 1np0 s SER 243 Cb 0.12 0.51 0.16 0.00 0.10 0.00 0.00 66.02 66.91 1np0 s SER 243 CO 0.82 -0.68 0.44 0.12 0.98 0.00 0.00 173.24 174.92 1np0 s PHE 244 N -2.15 3.48 -0.63 5.02 2.19 -0.65 -3.01 117.98 122.23 1np0 s PHE 244 Ca -0.04 -3.29 0.26 0.00 0.33 0.00 0.00 56.93 54.19 1np0 s PHE 244 Cb -0.00 -2.76 0.79 0.00 -1.31 0.00 0.00 43.02 39.73 1np0 s PHE 244 CO -0.00 -0.61 1.75 -1.00 1.83 0.00 0.00 175.22 177.19 1np0 h PRO 245 N 5.72 0.00 -6.25 10.12 0.13 -1.79 -3.24 132.00 136.70 1np0 h PRO 245 Ca 0.08 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.66 1np0 h PRO 245 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1np0 h PRO 245 CO 0.72 0.00 1.07 -0.47 -0.23 0.00 0.00 178.00 179.08 1np0 s TYR 246 N -3.17 2.10 -0.45 1.56 5.04 -1.26 -0.38 117.35 120.79 1np0 s TYR 246 Ca 0.09 0.33 -0.25 0.00 -2.44 0.00 0.00 57.07 54.80 1np0 s TYR 246 Cb 0.11 -3.87 0.03 0.00 0.35 0.00 0.00 41.96 38.58 1np0 s TYR 246 CO 0.58 -3.49 0.92 -1.14 -1.34 0.00 0.00 175.55 171.08 1np0 s GLN 247 N 4.04 3.58 -0.03 4.97 0.74 -0.94 -4.22 119.66 127.80 1np0 s GLN 247 Ca 0.71 0.21 -0.18 0.00 0.05 0.00 0.00 55.36 56.15 1np0 s GLN 247 Cb -0.31 -3.91 -0.05 0.00 1.10 0.00 0.00 33.01 29.84 1np0 s GLN 247 CO 0.28 -1.18 0.49 0.45 -0.55 0.00 0.00 175.29 174.78 1np0 s SER 248 N 2.20 6.84 0.01 6.67 0.15 -1.26 -4.59 113.70 123.72 1np0 s SER 248 Ca 0.37 1.00 -0.19 0.00 0.70 0.00 0.00 55.95 57.83 1np0 s SER 248 Cb -0.10 -2.30 -0.25 0.00 -1.71 0.00 0.00 66.02 61.65 1np0 s SER 248 CO 0.25 0.17 1.07 0.40 1.20 0.00 0.00 173.24 176.33 1np0 h ILE 249 N 4.09 1.42 -0.16 6.45 2.04 -1.96 -2.85 117.51 126.55 1np0 h ILE 249 Ca -0.47 -2.21 -0.14 0.00 1.00 0.00 0.00 64.86 63.05 1np0 h ILE 249 Cb 1.20 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.97 1np0 h ILE 249 CO 0.68 0.65 -0.49 0.71 0.00 0.00 0.00 178.15 179.70 1np0 h THR 250 N -0.07 1.33 -2.26 -0.27 1.35 -1.97 -3.36 112.91 107.66 1np0 h THR 250 Ca -0.10 -1.71 -0.59 0.00 -0.55 0.00 0.00 66.41 63.45 1np0 h THR 250 Cb 1.46 1.74 -0.41 0.00 -1.73 0.00 0.00 68.15 69.21 1np0 h THR 250 CO 0.14 0.52 -0.71 0.49 -0.25 0.00 0.00 175.52 175.72 1np0 n PHE 251 N -3.97 2.63 0.15 4.73 3.72 -1.25 -4.97 117.46 118.51 1np0 n PHE 251 Ca -0.02 -4.02 0.14 0.00 -0.05 0.00 0.00 57.45 53.50 1np0 n PHE 251 Cb 0.55 -0.49 0.69 0.00 -0.94 0.00 0.00 39.48 39.29 1np0 n PHE 251 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1np0 h PRO 252 N 4.33 0.00 0.00 -1.08 0.11 -1.66 -2.44 132.00 131.26 1np0 h PRO 252 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1np0 h PRO 252 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1np0 h PRO 252 CO 0.73 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 179.37 1np0 h GLU 253 N 0.00 0.00 -0.06 1.05 4.39 -1.86 -2.56 114.58 115.54 1np0 h GLU 253 Ca 0.11 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1np0 h GLU 253 Cb 0.46 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1np0 h GLU 253 CO -0.00 0.09 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.70 1np0 h LEU 254 N 0.00 -0.50 0.03 1.33 3.38 -1.65 0.16 115.31 118.06 1np0 h LEU 254 Ca -0.00 0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 1np0 h LEU 254 Cb 0.43 0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.42 1np0 h LEU 254 CO 0.01 -0.22 -1.11 0.77 0.09 0.00 0.00 178.44 177.98 1np0 h SER 255 N -0.25 0.89 -0.80 -0.43 4.64 -1.71 -0.07 113.55 115.81 1np0 h SER 255 Ca 0.07 -0.75 0.04 0.00 -0.47 0.00 0.00 61.79 60.68 1np0 h SER 255 Cb 0.34 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 1np0 h SER 255 CO -0.20 1.55 0.53 0.78 -0.87 0.00 0.00 176.83 178.62 1np0 h ASN 256 N 0.35 0.85 0.00 4.97 2.35 -1.17 -1.70 115.58 121.22 1np0 h ASN 256 Ca -0.15 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1np0 h ASN 256 Cb 1.77 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.93 1np0 h ASN 256 CO 0.22 0.58 -1.94 0.29 -1.65 0.00 0.00 177.43 174.93 1np0 n LYS 257 N -4.45 0.68 -0.01 0.81 5.02 0.53 -4.62 118.16 116.12 1np0 n LYS 257 Ca 0.10 -0.14 0.10 0.00 -2.02 0.00 0.00 58.31 56.36 1np0 n LYS 257 Cb 0.12 -1.45 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 1np0 n LYS 257 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1np0 n GLY 258 N 1.52 -0.94 3.77 0.72 0.00 -0.04 -4.77 105.19 105.46 1np0 n GLY 258 Ca -0.09 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1np0 n GLY 258 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1np0 s SER 259 N -3.83 4.14 0.20 1.61 1.04 -0.65 -1.64 113.70 114.57 1np0 s SER 259 Ca -0.02 1.39 -0.08 0.00 0.48 0.00 0.00 55.95 57.72 1np0 s SER 259 Cb 0.14 -2.11 0.11 0.00 0.10 0.00 0.00 66.02 64.27 1np0 s SER 259 CO 0.85 -2.21 1.71 1.88 0.98 0.00 0.00 173.24 176.46 1np0 h TYR 260 N -1.25 1.20 -2.29 5.02 0.05 -1.88 -3.46 116.97 114.37 1np0 h TYR 260 Ca -0.48 -0.15 0.20 0.00 0.05 0.00 0.00 58.73 58.36 1np0 h TYR 260 Cb 1.27 -0.34 -0.06 0.00 1.01 0.00 0.00 36.73 38.61 1np0 h TYR 260 CO 0.46 0.98 0.61 -1.54 -1.05 0.00 0.00 178.16 177.62 1np0 s SER 261 N -6.47 -0.06 0.57 3.88 1.04 -1.26 -5.02 113.70 106.39 1np0 s SER 261 Ca -0.12 -0.48 0.32 0.00 0.48 0.00 0.00 55.95 56.15 1np0 s SER 261 Cb 0.15 0.42 1.76 0.00 0.10 0.00 0.00 66.02 68.45 1np0 s SER 261 CO 0.85 -0.81 2.19 -0.07 0.98 0.00 0.00 173.24 176.37 1np0 h LEU 262 N 2.00 0.00 -0.43 2.42 4.07 -1.93 -1.99 115.31 119.46 1np0 h LEU 262 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1np0 h LEU 262 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1np0 h LEU 262 CO 0.31 0.05 -0.26 -1.54 -1.08 0.00 0.00 178.44 175.92 1np0 n SER 263 N -3.58 0.93 -3.08 -0.43 3.41 -1.26 -4.18 113.62 105.43 1np0 n SER 263 Ca -0.02 -0.80 -0.37 0.00 -0.26 0.00 0.00 58.87 57.42 1np0 n SER 263 Cb 0.16 0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1np0 n SER 263 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1np0 n HIS 264 N -0.75 3.11 -4.19 7.33 8.25 -0.75 -4.98 115.22 123.25 1np0 n HIS 264 Ca 0.12 -2.72 -0.19 0.00 -0.26 0.00 0.00 57.72 54.68 1np0 n HIS 264 Cb 0.34 -0.94 -0.12 0.00 1.12 0.00 0.00 29.99 30.39 1np0 n HIS 264 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1np0 s VAL 265 N -4.85 1.18 -0.39 1.59 1.01 -1.26 -4.50 120.40 113.18 1np0 s VAL 265 Ca 0.47 -1.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1np0 s VAL 265 Cb 0.34 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1np0 s VAL 265 CO -0.26 -0.23 0.19 -0.31 0.00 0.00 0.00 175.10 174.49 1np0 s TYR 266 N -1.36 3.36 0.82 5.22 2.02 0.48 -5.02 117.35 122.88 1np0 s TYR 266 Ca -0.00 -1.69 -0.11 0.00 -0.37 0.00 0.00 57.07 54.89 1np0 s TYR 266 Cb -0.09 -2.78 0.08 0.00 -0.40 0.00 0.00 41.96 38.77 1np0 s TYR 266 CO 0.02 -0.84 1.09 0.95 -1.57 0.00 0.00 175.55 175.21 1np0 s THR 267 N 1.35 3.03 0.52 -0.71 -4.23 -1.26 -2.20 115.64 112.13 1np0 s THR 267 Ca 0.02 0.33 0.21 0.00 -1.18 0.00 0.00 61.69 61.08 1np0 s THR 267 Cb -0.22 -2.97 0.35 0.00 1.34 0.00 0.00 72.50 71.00 1np0 s THR 267 CO 0.01 -0.44 2.04 -0.65 -0.54 0.00 0.00 174.62 175.04 1np0 h PRO 268 N -1.21 0.04 -0.35 3.99 0.11 -2.00 -1.47 132.00 131.11 1np0 h PRO 268 Ca -0.47 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1np0 h PRO 268 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1np0 h PRO 268 CO 0.57 0.03 -0.38 -0.97 -0.21 0.00 0.00 178.00 177.03 1np0 h ASN 269 N 0.04 0.89 -0.11 -2.05 -1.24 -1.99 -1.79 115.58 109.34 1np0 h ASN 269 Ca 0.18 -0.40 0.01 0.00 0.71 0.00 0.00 56.30 56.79 1np0 h ASN 269 Cb 0.65 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1np0 h ASN 269 CO -0.01 1.17 0.05 0.44 -1.29 0.00 0.00 177.43 177.79 1np0 h ASP 270 N 0.69 0.08 -0.25 1.15 3.32 -1.63 0.30 116.42 120.08 1np0 h ASP 270 Ca 0.06 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1np0 h ASP 270 Cb 0.95 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 1np0 h ASP 270 CO 0.09 0.07 0.07 0.58 -1.72 0.00 0.00 179.24 178.33 1np0 h VAL 271 N 0.12 0.92 -0.57 -1.35 2.07 -1.37 -0.01 116.25 116.05 1np0 h VAL 271 Ca 0.04 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1np0 h VAL 271 Cb 0.01 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1np0 h VAL 271 CO -0.03 0.03 0.37 0.03 0.02 0.00 0.00 177.57 177.99 1np0 h ARG 272 N 0.18 0.73 -0.25 1.57 3.08 -1.19 -1.25 114.38 117.24 1np0 h ARG 272 Ca 0.11 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1np0 h ARG 272 Cb 0.09 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1np0 h ARG 272 CO -0.13 0.48 -0.02 1.98 -1.07 0.00 0.00 179.97 181.22 1np0 h MET 273 N 0.75 0.06 -0.61 0.04 4.05 -0.33 -0.53 114.93 118.36 1np0 h MET 273 Ca 0.22 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.62 1np0 h MET 273 Cb -0.06 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1np0 h MET 273 CO -0.06 0.04 0.34 0.28 0.23 0.00 0.00 176.91 177.74 1np0 h VAL 274 N 0.06 1.19 -0.46 -5.77 2.07 -0.80 -0.94 116.25 111.60 1np0 h VAL 274 Ca 0.12 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1np0 h VAL 274 Cb 0.16 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1np0 h VAL 274 CO -0.22 0.21 0.27 0.40 0.02 0.00 0.00 177.57 178.24 1np0 h ILE 275 N 0.83 1.15 -0.25 4.57 2.04 -0.88 -1.32 117.51 123.65 1np0 h ILE 275 Ca 0.22 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 1np0 h ILE 275 Cb 0.03 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1np0 h ILE 275 CO -0.04 0.16 -0.24 -0.08 0.00 0.00 0.00 178.15 177.95 1np0 h GLU 276 N 0.61 0.61 -0.81 2.37 4.22 -0.94 -0.74 114.58 119.90 1np0 h GLU 276 Ca 0.16 -0.32 0.02 0.00 0.08 0.00 0.00 59.36 59.31 1np0 h GLU 276 Cb 0.02 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1np0 h GLU 276 CO -0.03 0.92 0.53 -0.92 -2.18 0.00 0.00 179.01 177.32 1np0 h TYR 277 N 0.32 0.99 -0.53 0.92 3.20 -1.11 -1.16 116.97 119.61 1np0 h TYR 277 Ca 0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1np0 h TYR 277 Cb 0.80 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1np0 h TYR 277 CO 0.07 0.59 0.05 0.00 -1.64 0.00 0.00 178.16 177.23 1np0 h ALA 278 N 1.33 0.70 -0.52 1.82 0.00 -1.16 -3.15 119.26 118.28 1np0 h ALA 278 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1np0 h ALA 278 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1np0 h ALA 278 CO -0.10 0.47 0.33 -0.09 0.00 0.00 0.00 179.25 179.86 1np0 h ARG 279 N 0.77 0.69 0.00 0.00 2.43 -0.44 0.34 114.38 118.18 1np0 h ARG 279 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1np0 h ARG 279 Cb 0.45 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1np0 h ARG 279 CO 0.02 0.48 0.00 -0.07 -1.51 0.00 0.00 179.97 178.89 1np0 h LEU 280 N 0.70 0.00 -2.90 3.80 3.38 -1.20 0.87 115.31 119.96 1np0 h LEU 280 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1np0 h LEU 280 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1np0 h LEU 280 CO -0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.03 1np0 n ARG 281 N -2.68 2.92 -2.21 1.13 1.74 -0.71 -4.88 116.66 111.96 1np0 n ARG 281 Ca -0.02 -2.36 -0.12 0.00 -0.77 0.00 0.00 57.85 54.58 1np0 n ARG 281 Cb 0.09 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 1np0 n ARG 281 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1np0 n GLY 282 N 0.83 -0.10 3.60 -0.13 0.00 0.30 -4.87 105.19 104.81 1np0 n GLY 282 Ca 0.17 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1np0 n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1np0 s ILE 283 N -2.60 4.14 0.13 -0.61 1.01 0.11 -4.76 121.20 118.62 1np0 s ILE 283 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 1np0 s ILE 283 Cb 0.00 -2.77 -0.07 0.00 0.01 0.00 0.00 42.46 39.62 1np0 s ILE 283 CO 0.00 0.55 0.60 -0.13 0.00 0.00 0.00 174.94 175.96 1np0 s ARG 284 N -0.29 4.14 -0.37 2.79 0.52 0.37 -3.42 118.95 122.70 1np0 s ARG 284 Ca 0.06 0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 55.87 1np0 s ARG 284 Cb -0.12 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.34 1np0 s ARG 284 CO 0.02 0.53 0.16 0.08 0.02 0.00 0.00 175.30 176.11 1np0 s VAL 285 N -1.33 4.04 -0.38 3.52 1.01 -1.26 0.84 120.40 126.83 1np0 s VAL 285 Ca 0.35 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1np0 s VAL 285 Cb -0.17 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1np0 s VAL 285 CO 0.20 -0.28 0.30 -0.22 0.00 0.00 0.00 175.10 175.10 1np0 s LEU 286 N 1.43 4.83 0.22 3.92 2.96 0.03 -4.50 118.68 127.56 1np0 s LEU 286 Ca 0.00 -0.66 -0.18 0.00 -0.22 0.00 0.00 54.13 53.08 1np0 s LEU 286 Cb -0.20 -2.19 -0.08 0.00 0.50 0.00 0.00 46.19 44.22 1np0 s LEU 286 CO 0.03 -0.38 0.68 -2.16 -1.32 0.00 0.00 176.35 173.20 1np0 s PRO 287 N 1.77 4.15 -0.14 0.98 0.04 -1.26 -0.83 135.00 139.71 1np0 s PRO 287 Ca 0.07 0.74 0.02 0.00 0.04 0.00 0.00 61.00 61.87 1np0 s PRO 287 Cb -0.18 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.54 1np0 s PRO 287 CO 0.11 0.38 -0.21 -2.00 0.04 0.00 0.00 177.00 175.32 1np0 s GLU 288 N -2.12 2.92 -0.56 4.56 2.12 -0.57 -1.44 118.70 123.62 1np0 s GLU 288 Ca 0.43 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.99 1np0 s GLU 288 Cb -0.15 -2.40 0.15 0.00 0.26 0.00 0.00 34.13 31.99 1np0 s GLU 288 CO 0.20 -0.06 0.34 -0.06 -0.54 0.00 0.00 175.26 175.14 1np0 s PHE 289 N 0.92 3.01 0.11 5.30 0.08 -0.93 -3.36 117.98 123.10 1np0 s PHE 289 Ca -0.05 -3.06 -0.31 0.00 0.12 0.00 0.00 56.93 53.63 1np0 s PHE 289 Cb -0.15 -2.54 -0.08 0.00 -0.57 0.00 0.00 43.02 39.69 1np0 s PHE 289 CO -0.04 -0.69 1.37 0.34 -0.10 0.00 0.00 175.22 176.11 1np0 s ASP 290 N -0.55 6.85 0.16 1.36 -1.08 -1.26 -4.46 116.67 117.69 1np0 s ASP 290 Ca 0.20 2.29 -0.12 0.00 -0.52 0.00 0.00 52.55 54.41 1np0 s ASP 290 Cb -0.17 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.71 1np0 s ASP 290 CO -0.06 -0.64 0.35 0.42 0.52 0.00 0.00 175.17 175.76 1np0 s THR 291 N 1.13 0.06 -0.41 1.71 -4.23 -1.08 -4.59 115.64 108.22 1np0 s THR 291 Ca 0.64 -1.15 0.23 0.00 -1.18 0.00 0.00 61.69 60.24 1np0 s THR 291 Cb -0.36 -1.68 0.34 0.00 1.34 0.00 0.00 72.50 72.14 1np0 s THR 291 CO 0.30 -0.28 1.63 1.55 -0.54 0.00 0.00 174.62 177.28 1np0 h PRO 292 N 2.45 0.00 -7.34 3.99 0.13 -1.91 -2.37 132.00 126.95 1np0 h PRO 292 Ca -0.31 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.36 1np0 h PRO 292 Cb 1.24 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.46 1np0 h PRO 292 CO 0.46 0.00 0.22 0.20 -0.23 0.00 0.00 178.00 178.65 1np0 s GLY 293 N -4.21 1.74 -1.61 1.56 0.00 -1.26 -1.64 107.32 101.90 1np0 s GLY 293 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1np0 s GLY 293 CO 0.66 -0.72 0.00 1.42 0.00 0.00 0.00 173.10 174.46 1np0 n HIS 294 N -3.05 -0.65 -0.58 1.90 8.25 -1.26 -4.88 115.22 114.94 1np0 n HIS 294 Ca 0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.64 1np0 n HIS 294 Cb 0.60 -3.43 0.15 0.00 1.12 0.00 0.00 29.99 28.43 1np0 n HIS 294 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1np0 n THR 295 N -3.67 1.58 -0.21 1.59 -2.24 -1.26 -2.34 114.28 107.74 1np0 n THR 295 Ca -0.20 -1.55 0.01 0.00 -2.27 0.00 0.00 64.05 60.04 1np0 n THR 295 Cb 0.64 0.11 0.12 0.00 -2.10 0.00 0.00 70.33 69.11 1np0 n THR 295 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1np0 h LEU 296 N 1.05 0.08 -2.28 3.22 3.38 -1.79 -1.17 115.31 117.80 1np0 h LEU 296 Ca 0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1np0 h LEU 296 Cb 0.95 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1np0 h LEU 296 CO 0.06 0.04 -0.02 0.77 0.09 0.00 0.00 178.44 179.38 1np0 h SER 297 N 0.31 0.00 0.51 -0.43 4.64 -1.46 -2.29 113.55 114.82 1np0 h SER 297 Ca 0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 1np0 h SER 297 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1np0 h SER 297 CO -0.39 0.02 -0.44 -0.50 -0.87 0.00 0.00 176.83 174.65 1np0 h TRP 298 N 0.00 0.00 0.00 4.77 4.06 -1.49 -3.19 115.95 120.11 1np0 h TRP 298 Ca -0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1np0 h TRP 298 Cb 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1np0 h TRP 298 CO 0.00 0.44 -0.21 0.78 -3.56 0.00 0.00 178.44 175.89 1np0 h GLY 299 N 1.45 0.00 1.51 1.49 0.00 -1.41 -3.11 103.07 103.00 1np0 h GLY 299 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1np0 h GLY 299 CO 0.06 0.00 0.12 0.50 0.00 0.00 0.00 176.54 177.22 1np0 h LYS 300 N 0.00 0.63 -0.01 4.80 1.79 -1.69 -3.28 116.57 118.82 1np0 h LYS 300 Ca -0.00 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1np0 h LYS 300 Cb 0.51 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1np0 h LYS 300 CO 0.03 0.57 -0.49 0.41 -1.08 0.00 0.00 179.45 178.89 1np0 n GLY 301 N -1.03 -0.20 2.80 3.86 0.00 -1.20 -4.84 105.19 104.59 1np0 n GLY 301 Ca 0.03 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1np0 n GLY 301 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1np0 s GLN 302 N -2.14 0.97 0.47 1.61 2.00 -1.18 -4.44 119.66 116.95 1np0 s GLN 302 Ca 0.11 -0.94 -0.23 0.00 -2.00 0.00 0.00 55.36 52.31 1np0 s GLN 302 Cb 0.13 -2.25 -0.07 0.00 0.80 0.00 0.00 33.01 31.62 1np0 s GLN 302 CO 0.50 -0.80 1.17 0.15 -0.50 0.00 0.00 175.29 175.81 1np0 s LYS 303 N 1.58 3.70 -1.57 1.67 -0.14 -1.26 -3.20 119.74 120.51 1np0 s LYS 303 Ca 0.03 1.78 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 1np0 s LYS 303 Cb -0.18 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.61 1np0 s LYS 303 CO -0.15 -0.60 0.00 -0.25 -0.76 0.00 0.00 175.35 173.59 1np0 n ASP 304 N -0.57 -5.24 0.01 2.83 8.00 -1.26 -4.84 116.55 115.47 1np0 n ASP 304 Ca 0.08 0.37 -0.18 0.00 0.71 0.00 0.00 54.79 55.76 1np0 n ASP 304 Cb 0.48 -4.26 -0.14 0.00 -0.02 0.00 0.00 41.12 37.18 1np0 n ASP 304 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1np0 h LEU 305 N 0.00 0.31 -9.96 0.64 5.85 -1.90 -3.46 115.31 106.80 1np0 h LEU 305 Ca -0.30 -0.95 -0.52 0.00 0.84 0.00 0.00 57.88 56.95 1np0 h LEU 305 Cb 1.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1np0 h LEU 305 CO 0.44 1.30 0.01 -0.76 -0.34 0.00 0.00 178.44 179.10 1np0 s LEU 306 N -7.95 4.17 -0.02 2.25 1.43 -1.26 -1.04 118.68 116.26 1np0 s LEU 306 Ca -0.16 1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 1np0 s LEU 306 Cb 0.00 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1np0 s LEU 306 CO 0.78 -0.09 1.30 -0.89 0.23 0.00 0.00 176.35 177.68 1np0 s THR 307 N -1.80 3.97 0.28 5.49 2.01 0.14 -4.63 115.64 121.10 1np0 s THR 307 Ca 0.48 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.52 1np0 s THR 307 Cb -0.12 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 1np0 s THR 307 CO 0.19 0.00 1.30 -2.84 -0.69 0.00 0.00 174.62 172.59 1np0 s PRO 308 N 2.28 4.38 0.16 4.92 0.02 -1.26 -1.09 135.00 144.41 1np0 s PRO 308 Ca 0.60 2.15 0.05 0.00 0.02 0.00 0.00 61.00 63.82 1np0 s PRO 308 Cb -0.28 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 1np0 s PRO 308 CO 0.24 -0.19 0.12 0.00 -0.33 0.00 0.00 177.00 176.84 1np0 s TYR 310 N -1.74 1.58 0.31 0.00 2.02 -1.26 -4.76 117.35 113.50 1np0 s TYR 310 Ca 0.31 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 1np0 s TYR 310 Cb -0.10 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1np0 s TYR 310 CO 0.23 -0.07 0.43 -1.12 -1.57 0.00 0.00 175.55 173.45 1np0 s SER 311 N -0.27 6.02 0.00 2.29 0.01 -1.26 -4.87 113.70 115.62 1np0 s SER 311 Ca 0.04 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1np0 s SER 311 Cb -0.08 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1np0 s SER 311 CO 0.00 -0.33 0.00 0.18 0.41 0.00 0.00 173.24 173.50 1np0 n LEU 316 N -1.56 0.00 0.00 2.44 4.77 -1.26 -5.21 117.00 116.18 1np0 n LEU 316 Ca -0.02 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.69 1np0 n LEU 316 Cb 0.58 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1np0 n LEU 316 CO 0.43 0.00 -0.18 0.47 -1.33 0.00 0.00 177.39 176.78 1np0 n ASP 317 N 0.00 1.71 0.01 -1.43 9.92 -1.26 -5.07 116.55 120.43 1np0 n ASP 317 Ca 0.00 -3.15 -0.18 0.00 -0.53 0.00 0.00 54.79 50.93 1np0 n ASP 317 Cb 0.00 0.87 -0.11 0.00 -0.64 0.00 0.00 41.12 41.24 1np0 n ASP 317 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1np0 h SER 318 N 1.51 0.55 -4.57 -2.24 0.02 -1.96 -3.40 113.55 103.47 1np0 h SER 318 Ca -0.34 -0.78 -0.36 0.00 -0.84 0.00 0.00 61.79 59.47 1np0 h SER 318 Cb 1.21 -0.17 -0.21 0.00 0.14 0.00 0.00 62.40 63.37 1np0 h SER 318 CO 0.54 1.26 -0.76 -0.36 -1.14 0.00 0.00 176.83 176.37 1np0 s PHE 319 N -3.14 1.03 0.00 3.45 0.08 -1.26 -0.57 117.98 117.57 1np0 s PHE 319 Ca -0.13 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1np0 s PHE 319 Cb 0.03 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.90 1np0 s PHE 319 CO 0.83 0.01 0.00 0.41 -0.10 0.00 0.00 175.22 176.37 1np0 n GLY 320 N 1.31 5.17 3.52 4.36 0.00 -0.25 -4.85 105.19 114.44 1np0 n GLY 320 Ca -0.21 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1np0 n GLY 320 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1np0 s PRO 321 N 3.70 -0.96 0.22 1.61 0.02 -1.26 -4.17 135.00 134.16 1np0 s PRO 321 Ca 0.00 0.52 -0.32 0.00 0.02 0.00 0.00 61.00 61.22 1np0 s PRO 321 Cb 0.00 -1.58 -0.13 0.00 0.02 0.00 0.00 34.50 32.82 1np0 s PRO 321 CO 0.00 -3.67 1.59 -0.89 -0.33 0.00 0.00 177.00 173.70 1np0 n ILE 322 N -4.83 0.45 -2.01 2.83 5.41 -0.65 -0.69 119.36 119.87 1np0 n ILE 322 Ca 0.06 -0.11 -0.43 0.00 1.00 0.00 0.00 62.75 63.26 1np0 n ILE 322 Cb 0.57 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.72 1np0 n ILE 322 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1np0 s ASN 323 N 0.75 5.96 -0.00 4.38 3.84 -0.20 -4.70 114.94 124.96 1np0 s ASN 323 Ca 0.72 1.36 0.08 0.00 0.21 0.00 0.00 52.86 55.22 1np0 s ASN 323 Cb -0.58 -2.53 0.22 0.00 -0.55 0.00 0.00 41.25 37.82 1np0 s ASN 323 CO 0.41 -1.65 1.17 -0.81 -2.79 0.00 0.00 177.10 173.44 1np0 n PRO 324 N 8.33 1.62 -0.08 0.43 -0.04 -1.26 -3.91 135.00 140.09 1np0 n PRO 324 Ca 0.22 -0.91 0.07 0.00 -0.04 0.00 0.00 63.50 62.85 1np0 n PRO 324 Cb 0.46 -1.22 0.11 0.00 -0.04 0.00 0.00 33.50 32.81 1np0 n PRO 324 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1np0 n THR 325 N 0.23 0.33 -4.59 0.52 -2.24 -1.26 -4.88 114.28 102.39 1np0 n THR 325 Ca 0.08 -0.66 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 1np0 n THR 325 Cb 0.23 1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 69.38 1np0 n THR 325 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1np0 s LEU 326 N -1.14 3.12 0.24 3.22 1.43 -1.25 -5.01 118.68 119.30 1np0 s LEU 326 Ca 0.21 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1np0 s LEU 326 Cb 0.13 -1.70 0.28 0.00 0.03 0.00 0.00 46.19 44.93 1np0 s LEU 326 CO 0.19 0.28 1.90 0.78 0.23 0.00 0.00 176.35 179.73 1np0 h ASN 327 N 5.84 1.02 -0.97 2.29 2.35 -1.94 -2.55 115.58 121.62 1np0 h ASN 327 Ca -0.41 -0.01 0.19 0.00 -0.55 0.00 0.00 56.30 55.52 1np0 h ASN 327 Cb 1.18 -0.24 -0.09 0.00 0.05 0.00 0.00 38.32 39.23 1np0 h ASN 327 CO 0.56 0.71 0.61 0.71 -1.65 0.00 0.00 177.43 178.37 1np0 h THR 328 N 1.19 0.71 0.26 2.81 1.35 -1.96 0.56 112.91 117.83 1np0 h THR 328 Ca 0.37 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.99 1np0 h THR 328 Cb -0.03 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.41 1np0 h THR 328 CO -0.11 0.12 -0.12 0.74 -0.25 0.00 0.00 175.52 175.89 1np0 h THR 329 N 0.64 0.75 -0.03 6.82 2.02 -1.75 -0.40 112.91 120.97 1np0 h THR 329 Ca 0.53 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.54 1np0 h THR 329 Cb 0.98 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1np0 h THR 329 CO -0.29 0.00 -0.74 1.88 0.37 0.00 0.00 175.52 176.74 1np0 h TYR 330 N -0.35 0.26 -0.57 3.16 0.05 -1.48 -1.44 116.97 116.60 1np0 h TYR 330 Ca -0.04 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 1np0 h TYR 330 Cb 0.27 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1np0 h TYR 330 CO -0.06 0.86 0.21 1.03 -1.05 0.00 0.00 178.16 179.15 1np0 h SER 331 N 0.12 0.81 -0.31 3.88 0.87 -0.88 -0.61 113.55 117.44 1np0 h SER 331 Ca -0.02 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1np0 h SER 331 Cb 1.30 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1np0 h SER 331 CO 0.11 0.78 0.14 0.15 -0.53 0.00 0.00 176.83 177.47 1np0 h PHE 332 N 0.79 0.45 -0.10 2.24 3.57 -0.92 -2.90 116.94 120.07 1np0 h PHE 332 Ca 0.19 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1np0 h PHE 332 Cb 0.24 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1np0 h PHE 332 CO 0.01 0.42 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.14 1np0 h LEU 333 N 0.35 0.20 0.13 0.59 3.38 -1.02 0.11 115.31 119.05 1np0 h LEU 333 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1np0 h LEU 333 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1np0 h LEU 333 CO -0.01 0.50 -0.06 0.74 0.09 0.00 0.00 178.44 179.70 1np0 h THR 334 N 0.17 0.99 -0.31 0.22 2.02 -1.06 0.10 112.91 115.05 1np0 h THR 334 Ca 0.02 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1np0 h THR 334 Cb 0.63 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1np0 h THR 334 CO 0.05 0.11 0.19 0.74 0.37 0.00 0.00 175.52 176.98 1np0 h THR 335 N -0.40 1.06 -0.07 3.16 2.02 -1.36 -1.37 112.91 115.95 1np0 h THR 335 Ca -0.02 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1np0 h THR 335 Cb 0.32 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1np0 h THR 335 CO 0.03 0.07 0.04 0.15 0.37 0.00 0.00 175.52 176.18 1np0 h PHE 336 N 0.39 0.10 0.00 3.16 3.57 -0.65 -2.78 116.94 120.73 1np0 h PHE 336 Ca 0.12 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1np0 h PHE 336 Cb -0.03 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1np0 h PHE 336 CO -0.06 0.13 -0.15 0.74 -2.23 0.00 0.00 178.31 176.74 1np0 h PHE 337 N 0.03 0.00 -0.33 0.41 0.04 -0.76 -2.22 116.94 114.11 1np0 h PHE 337 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1np0 h PHE 337 Cb 0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1np0 h PHE 337 CO -0.05 0.15 0.18 -0.22 -0.60 0.00 0.00 178.31 177.77 1np0 h LYS 338 N 0.00 0.46 0.02 1.51 1.63 -1.02 -0.36 116.57 118.81 1np0 h LYS 338 Ca -0.00 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1np0 h LYS 338 Cb 0.67 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1np0 h LYS 338 CO 0.02 0.38 -0.01 1.49 -3.45 0.00 0.00 179.45 177.88 1np0 h GLU 339 N 0.42 -0.03 -0.90 1.90 4.81 -1.18 -2.74 114.58 116.86 1np0 h GLU 339 Ca 0.12 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1np0 h GLU 339 Cb 0.05 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 1np0 h GLU 339 CO -0.02 0.02 0.54 0.82 -0.73 0.00 0.00 179.01 179.64 1np0 h ILE 340 N -0.07 0.93 0.00 2.32 1.08 -1.33 -0.09 117.51 120.35 1np0 h ILE 340 Ca -0.00 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1np0 h ILE 340 Cb 0.07 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.78 1np0 h ILE 340 CO 0.01 0.16 -0.04 0.77 -0.69 0.00 0.00 178.15 178.35 1np0 h SER 341 N 0.89 0.00 0.43 1.72 4.64 -0.78 -1.36 113.55 119.09 1np0 h SER 341 Ca 0.43 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.44 1np0 h SER 341 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1np0 h SER 341 CO -0.24 0.04 -1.71 -0.33 -0.87 0.00 0.00 176.83 173.72 1np0 h GLU 342 N 0.00 0.10 0.03 4.77 5.08 -0.80 -3.40 114.58 120.36 1np0 h GLU 342 Ca -0.00 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1np0 h GLU 342 Cb 0.10 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1np0 h GLU 342 CO 0.01 0.79 -0.58 0.28 -1.00 0.00 0.00 179.01 178.51 1np0 h VAL 343 N 0.03 1.48 -3.54 3.13 2.07 -0.81 -3.42 116.25 115.18 1np0 h VAL 343 Ca -0.30 -2.17 -0.70 0.00 0.82 0.00 0.00 66.70 64.35 1np0 h VAL 343 Cb 2.00 2.79 -0.20 0.00 -1.52 0.00 0.00 31.29 34.37 1np0 h VAL 343 CO 0.10 0.62 -0.32 -0.36 0.02 0.00 0.00 177.57 177.62 1np0 s PHE 344 N -2.99 3.21 0.48 1.57 0.40 -0.54 -4.95 117.98 115.15 1np0 s PHE 344 Ca -0.14 -0.43 0.41 0.00 -0.60 0.00 0.00 56.93 56.17 1np0 s PHE 344 Cb 0.02 -2.72 2.07 0.00 0.51 0.00 0.00 43.02 42.90 1np0 s PHE 344 CO 0.81 -0.61 2.24 -1.35 0.70 0.00 0.00 175.22 177.01 1np0 h PRO 345 N 8.65 0.00 -7.00 0.24 0.11 -1.84 -3.44 132.00 128.72 1np0 h PRO 345 Ca -0.27 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.30 1np0 h PRO 345 Cb 1.12 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.34 1np0 h PRO 345 CO 0.75 0.00 0.64 0.34 -0.21 0.00 0.00 178.00 179.53 1np0 s ASP 346 N -5.36 5.83 0.43 -2.05 2.15 -1.26 -4.91 116.67 111.50 1np0 s ASP 346 Ca -0.03 2.78 0.19 0.00 0.43 0.00 0.00 52.55 55.92 1np0 s ASP 346 Cb 0.12 -2.64 1.13 0.00 -0.30 0.00 0.00 42.92 41.22 1np0 s ASP 346 CO 0.46 -1.19 1.85 1.56 -0.17 0.00 0.00 175.17 177.68 1np0 h GLN 347 N 2.16 0.35 -6.18 4.34 4.20 -1.90 -3.44 115.11 114.64 1np0 h GLN 347 Ca -0.50 -0.02 -0.66 0.00 0.06 0.00 0.00 58.65 57.52 1np0 h GLN 347 Cb 1.27 -0.08 -0.14 0.00 0.30 0.00 0.00 27.48 28.83 1np0 h GLN 347 CO 0.60 0.23 -0.65 -0.06 -0.67 0.00 0.00 178.83 178.29 1np0 s PHE 348 N -5.39 3.05 -0.09 2.96 0.08 -1.26 -0.83 117.98 116.51 1np0 s PHE 348 Ca -0.08 0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.06 1np0 s PHE 348 Cb 0.23 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 1np0 s PHE 348 CO 0.78 0.46 -0.20 0.42 -0.10 0.00 0.00 175.22 176.59 1np0 s ILE 349 N -1.11 1.72 -0.34 0.64 1.01 -0.53 -4.50 121.20 118.09 1np0 s ILE 349 Ca 0.20 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 1np0 s ILE 349 Cb -0.11 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1np0 s ILE 349 CO 0.11 0.49 0.73 -2.28 0.00 0.00 0.00 174.94 173.99 1np0 s HIS 350 N 0.49 3.15 -1.72 3.97 2.46 -0.52 -1.38 115.29 121.74 1np0 s HIS 350 Ca -0.17 0.56 0.27 0.00 0.47 0.00 0.00 55.06 56.20 1np0 s HIS 350 Cb -0.17 -3.26 0.91 0.00 -0.13 0.00 0.00 32.58 29.93 1np0 s HIS 350 CO 0.06 -0.65 1.66 1.28 -2.47 0.00 0.00 174.74 174.63 1np0 n LEU 351 N 6.23 0.85 0.00 8.88 4.77 0.00 -2.19 117.00 135.54 1np0 n LEU 351 Ca 0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1np0 n LEU 351 Cb 0.48 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1np0 n LEU 351 CO 0.51 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1np0 n GLY 352 N 1.32 2.11 0.88 -0.72 0.00 -1.26 -2.64 105.19 104.88 1np0 n GLY 352 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1np0 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1np0 n GLY 353 N 0.00 0.78 3.90 -0.02 0.00 -0.89 -0.86 105.19 108.09 1np0 n GLY 353 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1np0 n GLY 353 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1np0 s ASP 354 N -2.02 6.50 -1.50 1.61 -4.77 -1.26 -4.39 116.67 110.84 1np0 s ASP 354 Ca 0.00 0.70 -0.04 0.00 -3.30 0.00 0.00 52.55 49.91 1np0 s ASP 354 Cb 0.00 -2.13 0.03 0.00 -1.09 0.00 0.00 42.92 39.73 1np0 s ASP 354 CO 0.00 -0.06 0.39 -0.62 0.70 0.00 0.00 175.17 175.58 1np0 n GLU 355 N -0.35 -2.72 -2.54 2.11 1.02 -1.26 -4.67 120.64 112.24 1np0 n GLU 355 Ca -0.02 0.33 -0.43 0.00 -0.02 0.00 0.00 57.16 57.02 1np0 n GLU 355 Cb 0.53 -4.42 -0.02 0.00 -0.02 0.00 0.00 31.44 27.50 1np0 n GLU 355 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1np0 s VAL 356 N -3.93 4.46 0.20 2.62 1.01 -1.26 -4.82 120.40 118.69 1np0 s VAL 356 Ca 0.14 1.76 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 1np0 s VAL 356 Cb -0.08 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 1np0 s VAL 356 CO 0.92 -0.17 0.79 -1.61 0.00 0.00 0.00 175.10 175.03 1np0 s GLU 357 N 3.39 4.51 -0.01 2.72 2.02 -1.26 -5.00 118.70 125.07 1np0 s GLU 357 Ca 0.50 1.12 0.13 0.00 0.02 0.00 0.00 54.97 56.74 1np0 s GLU 357 Cb -0.18 -3.11 -0.17 0.00 0.10 0.00 0.00 34.13 30.76 1np0 s GLU 357 CO 0.11 0.49 0.45 1.19 0.02 0.00 0.00 175.26 177.52 1np0 n PHE 358 N 1.25 0.00 -0.31 1.61 3.72 -1.26 -4.62 117.46 117.85 1np0 n PHE 358 Ca -0.04 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 1np0 n PHE 358 Cb 0.49 -0.13 0.40 0.00 -0.94 0.00 0.00 39.48 39.30 1np0 n PHE 358 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1np0 h LYS 359 N 0.00 0.61 -0.20 -1.08 1.57 -1.98 0.19 116.57 115.68 1np0 h LYS 359 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1np0 h LYS 359 Cb 0.45 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1np0 h LYS 359 CO 0.00 0.40 -0.04 0.00 -0.57 0.00 0.00 179.45 179.24 1np0 h TRP 361 N 0.11 0.99 -0.94 0.00 6.55 -1.59 -2.65 115.95 118.41 1np0 h TRP 361 Ca 0.05 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 1np0 h TRP 361 Cb 0.48 -0.31 -0.05 0.00 -0.86 0.00 0.00 29.16 28.42 1np0 h TRP 361 CO 0.05 0.73 0.58 1.49 -1.05 0.00 0.00 178.44 180.24 1np0 h GLU 362 N 0.97 1.27 0.00 0.49 4.81 -0.56 -2.91 114.58 118.65 1np0 h GLU 362 Ca 0.24 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1np0 h GLU 362 Cb 0.10 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1np0 h GLU 362 CO -0.03 0.88 -0.06 0.66 -0.73 0.00 0.00 179.01 179.73 1np0 h SER 363 N 1.29 0.00 -3.48 1.04 4.64 -0.89 -3.44 113.55 112.71 1np0 h SER 363 Ca 0.34 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.06 1np0 h SER 363 Cb -0.08 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.90 1np0 h SER 363 CO -0.07 0.06 0.07 0.21 -0.87 0.00 0.00 176.83 176.23 1np0 s ASN 364 N -5.86 6.58 0.31 4.97 3.84 -1.06 -4.56 114.94 119.17 1np0 s ASN 364 Ca 0.01 0.70 0.02 0.00 0.21 0.00 0.00 52.86 53.81 1np0 s ASN 364 Cb 0.09 -2.32 0.52 0.00 -0.55 0.00 0.00 41.25 38.99 1np0 s ASN 364 CO 0.58 -0.29 1.86 -0.65 -2.79 0.00 0.00 177.10 175.81 1np0 h PRO 365 N 7.70 0.68 -0.05 0.43 0.11 -1.87 -1.28 132.00 137.71 1np0 h PRO 365 Ca -0.30 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1np0 h PRO 365 Cb 1.14 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1np0 h PRO 365 CO 0.76 0.64 -0.36 0.87 -0.21 0.00 0.00 178.00 179.69 1np0 h LYS 366 N 0.65 0.10 -0.02 1.05 6.56 -1.95 -0.71 116.57 122.25 1np0 h LYS 366 Ca 0.15 -0.04 -0.23 0.00 -1.06 0.00 0.00 60.65 59.46 1np0 h LYS 366 Cb 0.28 -0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.96 1np0 h LYS 366 CO 0.00 0.46 -0.88 0.82 -2.06 0.00 0.00 179.45 177.78 1np0 h ILE 367 N 0.09 1.32 -0.66 1.86 2.04 -1.77 -1.88 117.51 118.50 1np0 h ILE 367 Ca 0.01 -2.15 0.10 0.00 1.00 0.00 0.00 64.86 63.82 1np0 h ILE 367 Cb 0.69 2.37 -0.07 0.00 -0.74 0.00 0.00 36.82 39.06 1np0 h ILE 367 CO 0.05 0.66 0.28 1.56 0.00 0.00 0.00 178.15 180.70 1np0 h GLN 368 N 0.28 0.47 -0.61 2.37 1.08 -1.02 0.87 115.11 118.55 1np0 h GLN 368 Ca -0.10 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1np0 h GLN 368 Cb 1.55 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.84 1np0 h GLN 368 CO 0.17 0.31 0.35 0.22 -0.95 0.00 0.00 178.83 178.94 1np0 h ASP 369 N 0.48 0.73 -0.34 1.46 3.58 -1.07 -1.11 116.42 120.15 1np0 h ASP 369 Ca 0.34 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.62 1np0 h ASP 369 Cb 0.41 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1np0 h ASP 369 CO -0.31 0.57 -0.29 0.15 -2.88 0.00 0.00 179.24 176.49 1np0 h PHE 370 N 0.84 0.94 -0.72 0.28 3.57 -0.35 -2.24 116.94 119.26 1np0 h PHE 370 Ca 0.22 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1np0 h PHE 370 Cb -0.01 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 1np0 h PHE 370 CO 0.00 1.04 0.46 0.52 -2.23 0.00 0.00 178.31 178.10 1np0 h MET 371 N 0.57 0.88 0.00 1.11 2.86 -0.49 -1.02 114.93 118.84 1np0 h MET 371 Ca 0.06 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1np0 h MET 371 Cb 0.86 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 1np0 h MET 371 CO 0.07 0.58 -0.18 -0.09 1.06 0.00 0.00 176.91 178.35 1np0 h ARG 372 N 0.90 -0.29 -0.62 1.72 2.43 -1.17 -1.24 114.38 116.11 1np0 h ARG 372 Ca 0.28 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1np0 h ARG 372 Cb -0.01 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1np0 h ARG 372 CO -0.10 -0.19 0.40 1.96 -1.51 0.00 0.00 179.97 180.53 1np0 h GLN 373 N -0.30 0.78 0.00 0.20 4.20 -1.04 -3.06 115.11 115.89 1np0 h GLN 373 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1np0 h GLN 373 Cb 0.37 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1np0 h GLN 373 CO -0.17 0.51 -0.20 1.63 -0.67 0.00 0.00 178.83 179.93 1np0 n LYS 374 N -4.68 0.16 -0.93 1.46 4.76 -0.42 -4.96 118.16 113.54 1np0 n LYS 374 Ca 0.05 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1np0 n LYS 374 Cb 0.05 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 1np0 n LYS 374 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1np0 n GLY 375 N 1.40 0.43 0.08 0.72 0.00 -0.52 -4.96 105.19 102.34 1np0 n GLY 375 Ca 0.05 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 45.21 1np0 n GLY 375 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1np0 n PHE 376 N -2.93 0.01 0.00 1.61 3.72 -0.89 -4.99 117.46 113.99 1np0 n PHE 376 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1np0 n PHE 376 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1np0 n PHE 376 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1np0 n GLY 377 N 0.98 4.26 0.25 1.37 0.00 -1.26 -1.16 105.19 109.63 1np0 n GLY 377 Ca 0.21 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.45 1np0 n GLY 377 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1np0 n THR 378 N 0.00 1.52 -2.84 2.61 -2.24 -1.26 -4.78 114.28 107.30 1np0 n THR 378 Ca 0.00 -1.60 -0.43 0.00 -2.27 0.00 0.00 64.05 59.75 1np0 n THR 378 Cb 0.00 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1np0 n THR 378 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1np0 s ASP 379 N -1.83 6.54 0.46 3.42 -1.08 -0.31 -4.84 116.67 119.04 1np0 s ASP 379 Ca 0.21 -1.78 0.31 0.00 -0.52 0.00 0.00 52.55 50.78 1np0 s ASP 379 Cb 0.17 -2.44 1.37 0.00 -1.46 0.00 0.00 42.92 40.56 1np0 s ASP 379 CO 0.05 -1.21 1.93 -0.26 0.52 0.00 0.00 175.17 176.19 1np0 h PHE 380 N 9.14 0.00 -0.28 -5.34 0.04 -1.92 -2.00 116.94 116.58 1np0 h PHE 380 Ca 0.11 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.91 1np0 h PHE 380 Cb 1.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1np0 h PHE 380 CO 1.17 0.00 0.19 0.87 -0.60 0.00 0.00 178.31 179.94 1np0 h LYS 381 N 0.00 0.25 -0.14 1.51 1.57 -1.91 -0.09 116.57 117.75 1np0 h LYS 381 Ca 0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1np0 h LYS 381 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1np0 h LYS 381 CO 0.00 0.16 -0.46 0.87 -0.57 0.00 0.00 179.45 179.45 1np0 h LYS 382 N 0.26 0.36 -0.16 3.15 1.57 -1.65 0.72 116.57 120.82 1np0 h LYS 382 Ca 0.12 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1np0 h LYS 382 Cb 0.15 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1np0 h LYS 382 CO -0.02 0.75 -0.57 1.25 -0.57 0.00 0.00 179.45 180.28 1np0 h LEU 383 N 0.29 0.78 -0.49 2.94 5.85 -1.43 -1.49 115.31 121.76 1np0 h LEU 383 Ca 0.02 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1np0 h LEU 383 Cb 0.93 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1np0 h LEU 383 CO 0.08 1.25 0.27 -0.08 -0.34 0.00 0.00 178.44 179.63 1np0 h GLU 384 N 0.35 0.53 -0.41 1.25 4.81 -0.97 -1.38 114.58 118.75 1np0 h GLU 384 Ca -0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1np0 h GLU 384 Cb 1.20 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1np0 h GLU 384 CO 0.12 0.35 0.19 0.77 -0.73 0.00 0.00 179.01 179.71 1np0 h SER 385 N 0.55 0.55 -0.37 1.04 0.02 -0.83 -1.80 113.55 112.71 1np0 h SER 385 Ca 0.20 -0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1np0 h SER 385 Cb 0.05 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.38 1np0 h SER 385 CO -0.11 0.54 -0.10 0.15 -1.14 0.00 0.00 176.83 176.17 1np0 h PHE 386 N 0.52 -0.23 0.68 3.45 3.57 -1.11 -0.52 116.94 123.31 1np0 h PHE 386 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1np0 h PHE 386 Cb 0.14 0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.05 1np0 h PHE 386 CO -0.01 -0.17 -0.34 -0.92 -2.23 0.00 0.00 178.31 174.64 1np0 h TYR 387 N -0.02 -0.88 0.00 0.41 3.20 -1.03 -2.95 116.97 115.71 1np0 h TYR 387 Ca 0.18 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1np0 h TYR 387 Cb 0.29 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1np0 h TYR 387 CO -0.34 -0.54 -0.32 0.97 -1.64 0.00 0.00 178.16 176.28 1np0 h ILE 388 N -0.93 1.04 -0.81 1.81 2.10 -1.23 -2.24 117.51 117.24 1np0 h ILE 388 Ca -0.09 -1.18 -0.01 0.00 1.08 0.00 0.00 64.86 64.65 1np0 h ILE 388 Cb 0.72 1.68 -0.04 0.00 -1.09 0.00 0.00 36.82 38.09 1np0 h ILE 388 CO 0.15 0.32 0.47 1.56 -1.08 0.00 0.00 178.15 179.57 1np0 h GLN 389 N 0.00 1.11 -0.49 2.19 4.20 -1.08 0.12 115.11 121.17 1np0 h GLN 389 Ca -0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1np0 h GLN 389 Cb 0.65 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1np0 h GLN 389 CO 0.04 0.80 0.14 0.87 -0.67 0.00 0.00 178.83 180.01 1np0 h LYS 390 N 1.12 0.72 -0.07 1.46 1.57 -1.23 -2.20 116.57 117.94 1np0 h LYS 390 Ca 0.29 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.78 1np0 h LYS 390 Cb -0.01 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.19 1np0 h LYS 390 CO -0.05 0.63 -0.61 0.28 -0.57 0.00 0.00 179.45 179.13 1np0 h VAL 391 N 0.70 1.36 -0.90 0.50 2.07 -1.16 -2.53 116.25 116.29 1np0 h VAL 391 Ca 0.16 -1.95 0.08 0.00 0.82 0.00 0.00 66.70 65.81 1np0 h VAL 391 Cb 0.22 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 1np0 h VAL 391 CO -0.01 0.59 0.56 -0.07 0.02 0.00 0.00 177.57 178.66 1np0 h LEU 392 N 0.13 0.85 -0.90 2.57 3.38 -0.65 -1.80 115.31 118.90 1np0 h LEU 392 Ca -0.06 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1np0 h LEU 392 Cb 1.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1np0 h LEU 392 CO 0.12 0.52 -0.47 0.44 0.09 0.00 0.00 178.44 179.14 1np0 h ASP 393 N 0.97 0.19 -0.44 -0.43 3.32 -1.40 -1.55 116.42 117.08 1np0 h ASP 393 Ca 0.41 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1np0 h ASP 393 Cb 0.27 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1np0 h ASP 393 CO -0.21 0.64 0.18 0.40 -1.72 0.00 0.00 179.24 178.53 1np0 h ILE 394 N 0.15 1.20 -0.56 0.35 2.04 -0.93 -0.31 117.51 119.45 1np0 h ILE 394 Ca 0.01 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1np0 h ILE 394 Cb 0.89 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1np0 h ILE 394 CO 0.07 0.23 0.20 0.40 0.00 0.00 0.00 178.15 179.05 1np0 h ILE 395 N 0.57 1.23 -0.08 -0.67 1.08 -1.19 -2.75 117.51 115.70 1np0 h ILE 395 Ca 0.15 -0.76 -0.05 0.00 -0.39 0.00 0.00 64.86 63.81 1np0 h ILE 395 Cb 0.19 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1np0 h ILE 395 CO -0.01 0.29 -0.16 0.00 -0.69 0.00 0.00 178.15 177.57 1np0 h ALA 396 N 1.05 1.59 -0.54 1.87 0.00 -1.07 -2.39 119.26 119.78 1np0 h ALA 396 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1np0 h ALA 396 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1np0 h ALA 396 CO -0.01 0.30 -0.12 1.15 0.00 0.00 0.00 179.25 180.57 1np0 h THR 397 N 0.12 1.27 -0.19 0.00 2.02 -0.78 -2.70 112.91 112.66 1np0 h THR 397 Ca 0.02 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1np0 h THR 397 Cb 0.36 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1np0 h THR 397 CO 0.02 0.45 0.00 2.30 0.37 0.00 0.00 175.52 178.67 1np0 n ILE 398 N -4.14 0.35 -2.19 3.11 -5.35 -1.07 -4.94 119.36 105.13 1np0 n ILE 398 Ca 0.01 -0.28 -0.15 0.00 -0.27 0.00 0.00 62.75 62.07 1np0 n ILE 398 Cb 0.41 0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.32 1np0 n ILE 398 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1np0 n ASN 399 N 0.08 -4.51 -4.77 7.28 3.02 -1.02 -5.04 115.26 110.31 1np0 n ASN 399 Ca 0.07 0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.42 1np0 n ASN 399 Cb 0.23 -3.62 -0.05 0.00 -0.61 0.00 0.00 39.78 35.72 1np0 n ASN 399 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1np0 s LYS 400 N -4.57 2.61 0.24 3.52 -0.14 -0.92 -5.03 119.74 115.45 1np0 s LYS 400 Ca 0.00 -1.30 0.03 0.00 -1.36 0.00 0.00 55.97 53.35 1np0 s LYS 400 Cb 0.00 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 1np0 s LYS 400 CO 0.00 0.27 0.39 0.20 -0.76 0.00 0.00 175.35 175.45 1np0 s GLY 401 N -3.83 1.37 0.04 -3.33 0.00 -0.01 -4.13 107.32 97.43 1np0 s GLY 401 Ca 0.35 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 44.04 1np0 s GLY 401 CO 0.24 -1.08 -0.13 -0.56 0.00 0.00 0.00 173.10 171.56 1np0 s SER 402 N -3.79 4.15 0.03 1.64 0.01 -1.26 -1.45 113.70 113.02 1np0 s SER 402 Ca 0.36 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 57.36 1np0 s SER 402 Cb -0.10 -0.79 -0.02 0.00 0.21 0.00 0.00 66.02 65.32 1np0 s SER 402 CO 0.30 0.25 -0.21 -0.63 0.41 0.00 0.00 173.24 173.36 1np0 s ILE 403 N -0.99 1.72 -0.03 1.44 1.01 -0.48 -1.40 121.20 122.47 1np0 s ILE 403 Ca 0.16 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 1np0 s ILE 403 Cb -0.11 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1np0 s ILE 403 CO 0.07 0.27 0.14 0.54 0.00 0.00 0.00 174.94 175.96 1np0 s VAL 404 N -0.74 0.04 0.59 2.92 0.11 -0.44 -0.82 120.40 122.05 1np0 s VAL 404 Ca 0.08 -0.32 -0.17 0.00 -2.93 0.00 0.00 61.98 58.64 1np0 s VAL 404 Cb -0.09 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1np0 s VAL 404 CO 0.01 -0.18 1.08 0.26 -3.33 0.00 0.00 175.10 172.94 1np0 s TRP 405 N -0.59 2.86 0.55 1.54 0.52 -0.04 0.13 118.94 123.92 1np0 s TRP 405 Ca -0.07 1.53 0.26 0.00 0.02 0.00 0.00 56.10 57.85 1np0 s TRP 405 Cb -0.04 -3.09 1.44 0.00 -1.15 0.00 0.00 33.47 30.63 1np0 s TRP 405 CO 0.01 -1.27 2.00 -0.56 0.02 0.00 0.00 176.95 177.14 1np0 h GLN 406 N 0.57 0.00 -0.31 4.98 3.07 -1.70 -2.62 115.11 119.10 1np0 h GLN 406 Ca -0.48 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.33 1np0 h GLN 406 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.78 1np0 h GLN 406 CO 0.57 0.00 0.22 0.93 0.09 0.00 0.00 178.83 180.64 1np0 h GLU 407 N 0.00 0.13 -0.40 0.06 3.07 -1.90 0.22 114.58 115.76 1np0 h GLU 407 Ca 0.23 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1np0 h GLU 407 Cb 0.98 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 1np0 h GLU 407 CO -0.00 0.08 0.10 0.28 -1.40 0.00 0.00 179.01 178.07 1np0 h VAL 408 N 0.13 1.18 0.06 3.13 2.07 -1.67 0.27 116.25 121.42 1np0 h VAL 408 Ca 0.14 -0.63 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 1np0 h VAL 408 Cb 0.40 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1np0 h VAL 408 CO -0.02 0.23 -0.62 0.15 0.02 0.00 0.00 177.57 177.33 1np0 h PHE 409 N 0.57 0.51 -0.06 1.57 3.57 -0.88 -1.99 116.94 120.24 1np0 h PHE 409 Ca 0.13 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1np0 h PHE 409 Cb 0.21 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1np0 h PHE 409 CO 0.01 1.19 0.01 -0.44 -2.23 0.00 0.00 178.31 176.84 1np0 h ASP 410 N -0.30 0.09 0.00 0.41 3.32 -0.43 -2.29 116.42 117.22 1np0 h ASP 410 Ca -0.09 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1np0 h ASP 410 Cb 1.40 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1np0 h ASP 410 CO 0.12 0.32 0.00 0.47 -1.72 0.00 0.00 179.24 178.43 1np0 n ASP 411 N -4.90 0.13 -2.21 6.45 9.92 0.91 -4.87 116.55 121.98 1np0 n ASP 411 Ca -0.07 -1.14 -0.14 0.00 -0.53 0.00 0.00 54.79 52.91 1np0 n ASP 411 Cb 0.16 -0.06 0.04 0.00 -0.64 0.00 0.00 41.12 40.62 1np0 n ASP 411 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1np0 n LYS 412 N -0.34 -4.32 -2.41 -1.24 5.02 -0.86 -4.75 118.16 109.25 1np0 n LYS 412 Ca 0.00 0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 56.42 1np0 n LYS 412 Cb 0.03 -4.46 -0.02 0.00 -0.02 0.00 0.00 35.03 30.56 1np0 n LYS 412 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1np0 s ALA 413 N -3.14 2.82 -0.32 7.82 0.00 -0.75 -4.99 121.76 123.21 1np0 s ALA 413 Ca 0.31 0.73 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 1np0 s ALA 413 Cb -0.14 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1np0 s ALA 413 CO 0.39 -0.51 0.92 0.15 0.00 0.00 0.00 175.76 176.70 1np0 s LYS 414 N -3.16 3.99 0.01 0.00 1.02 -1.26 -4.84 119.74 115.51 1np0 s LYS 414 Ca 0.69 0.79 0.02 0.00 0.02 0.00 0.00 55.97 57.48 1np0 s LYS 414 Cb -0.21 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1np0 s LYS 414 CO 0.24 -0.79 0.01 -0.51 -0.92 0.00 0.00 175.35 173.38 1np0 s LEU 415 N 3.28 3.55 0.32 3.17 1.43 -1.26 -4.87 118.68 124.31 1np0 s LEU 415 Ca 0.38 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 53.21 1np0 s LEU 415 Cb -0.13 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.91 1np0 s LEU 415 CO 0.14 0.26 0.94 0.00 0.23 0.00 0.00 176.35 177.93 1np0 s ALA 416 N -1.13 3.22 -0.04 4.21 0.00 -1.26 -4.97 121.76 121.79 1np0 s ALA 416 Ca 0.21 0.53 -0.36 0.00 0.00 0.00 0.00 51.96 52.34 1np0 s ALA 416 Cb -0.12 -3.19 -0.14 0.00 0.00 0.00 0.00 23.12 19.67 1np0 s ALA 416 CO 0.12 0.17 1.64 -2.30 0.00 0.00 0.00 175.76 175.39 1np0 n PRO 417 N 0.63 1.64 0.00 0.00 -0.02 -1.26 -2.50 135.00 133.49 1np0 n PRO 417 Ca 0.02 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1np0 n PRO 417 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1np0 n PRO 417 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1np0 n GLY 418 N 3.66 2.12 3.72 -1.23 0.00 -1.26 -5.10 105.19 107.10 1np0 n GLY 418 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1np0 n GLY 418 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1np0 s THR 419 N -2.14 2.74 -0.01 2.61 2.01 -1.04 -4.72 115.64 115.09 1np0 s THR 419 Ca 0.00 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 1np0 s THR 419 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1np0 s THR 419 CO 0.00 0.05 0.49 -0.63 -0.69 0.00 0.00 174.62 173.84 1np0 s ILE 420 N 0.99 4.98 -0.18 1.82 1.01 -0.49 -4.00 121.20 125.33 1np0 s ILE 420 Ca 0.68 1.02 -0.05 0.00 0.00 0.00 0.00 60.65 62.30 1np0 s ILE 420 Cb -0.42 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1np0 s ILE 420 CO 0.33 0.48 -0.00 -0.69 0.00 0.00 0.00 174.94 175.06 1np0 s VAL 421 N -0.52 4.06 -0.33 2.92 1.01 -0.76 -1.33 120.40 125.45 1np0 s VAL 421 Ca 0.27 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1np0 s VAL 421 Cb -0.17 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1np0 s VAL 421 CO 0.14 0.46 0.21 -0.70 0.00 0.00 0.00 175.10 175.22 1np0 s GLU 422 N 0.66 3.49 -0.38 2.72 2.12 0.12 -1.91 118.70 125.52 1np0 s GLU 422 Ca -0.01 -0.64 -0.21 0.00 0.36 0.00 0.00 54.97 54.48 1np0 s GLU 422 Cb -0.14 -3.73 0.01 0.00 0.26 0.00 0.00 34.13 30.52 1np0 s GLU 422 CO 0.02 -0.42 0.65 0.08 -0.54 0.00 0.00 175.26 175.05 1np0 s VAL 423 N 1.70 4.86 0.00 3.70 1.01 0.18 -1.85 120.40 129.99 1np0 s VAL 423 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1np0 s VAL 423 Cb -0.17 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1np0 s VAL 423 CO 0.09 -0.39 0.00 -2.67 0.00 0.00 0.00 175.10 172.13 1np0 n TRP 424 N 6.13 0.00 -2.48 5.22 4.27 -1.26 -0.53 117.44 128.79 1np0 n TRP 424 Ca -0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.18 1np0 n TRP 424 Cb 0.48 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.41 1np0 n TRP 424 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1np0 s LYS 425 N -1.70 4.43 0.51 -2.67 1.02 -1.26 -4.07 119.74 116.00 1np0 s LYS 425 Ca 0.00 1.68 0.30 0.00 0.02 0.00 0.00 55.97 57.97 1np0 s LYS 425 Cb 0.00 -3.43 1.19 0.00 -0.52 0.00 0.00 37.83 35.07 1np0 s LYS 425 CO 0.00 -0.28 1.92 0.22 -0.92 0.00 0.00 175.35 176.29 1np0 h ASP 426 N 7.01 0.00 -3.00 2.83 3.58 -1.96 -3.38 116.42 121.50 1np0 h ASP 426 Ca -0.39 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.49 1np0 h ASP 426 Cb 1.20 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 1np0 h ASP 426 CO 0.82 0.07 0.92 -0.44 -2.88 0.00 0.00 179.24 177.73 1np0 s SER 427 N -5.87 6.86 -1.43 2.28 0.01 -1.26 -3.91 113.70 110.38 1np0 s SER 427 Ca 0.01 1.51 -0.03 0.00 1.31 0.00 0.00 55.95 58.75 1np0 s SER 427 Cb 0.09 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1np0 s SER 427 CO 0.58 -0.86 0.52 0.00 0.41 0.00 0.00 173.24 173.88 1np0 n ALA 428 N 6.94 -1.89 -0.11 1.44 0.00 -1.26 -4.89 120.51 120.73 1np0 n ALA 428 Ca 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1np0 n ALA 428 Cb 0.45 -1.90 0.19 0.00 0.00 0.00 0.00 19.45 18.19 1np0 n ALA 428 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1np0 h TYR 429 N -1.82 0.81 -0.84 0.00 -0.00 -1.74 -2.06 116.97 111.33 1np0 h TYR 429 Ca -0.62 -0.09 0.04 0.00 0.00 0.00 0.00 58.73 58.06 1np0 h TYR 429 Cb 1.37 -0.23 -0.05 0.00 0.00 0.00 0.00 36.73 37.82 1np0 h TYR 429 CO 0.50 0.72 0.54 -1.35 -0.00 0.00 0.00 178.16 178.57 1np0 h PRO 430 N 0.75 0.99 -0.69 0.10 0.11 -1.90 0.94 132.00 132.29 1np0 h PRO 430 Ca 0.16 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1np0 h PRO 430 Cb 0.35 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 1np0 h PRO 430 CO 0.01 0.66 0.32 0.93 -0.21 0.00 0.00 178.00 179.70 1np0 h GLU 431 N 1.02 0.99 -0.43 1.05 5.08 -1.86 0.20 114.58 120.64 1np0 h GLU 431 Ca 0.35 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1np0 h GLU 431 Cb 0.06 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1np0 h GLU 431 CO -0.13 0.78 0.18 0.93 -1.00 0.00 0.00 179.01 179.76 1np0 h GLU 432 N 0.99 0.64 -0.90 2.33 4.39 -0.66 -1.12 114.58 120.24 1np0 h GLU 432 Ca 0.24 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1np0 h GLU 432 Cb 0.13 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1np0 h GLU 432 CO -0.03 0.58 0.60 -0.07 -1.16 0.00 0.00 179.01 178.93 1np0 h LEU 433 N 0.55 1.03 0.34 1.33 3.38 -0.13 -0.23 115.31 121.58 1np0 h LEU 433 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1np0 h LEU 433 Cb 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1np0 h LEU 433 CO -0.01 0.75 -0.16 0.28 0.09 0.00 0.00 178.44 179.38 1np0 h SER 434 N 1.22 -0.38 -0.47 -0.43 0.02 -0.75 -2.13 113.55 110.63 1np0 h SER 434 Ca 0.33 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1np0 h SER 434 Cb -0.14 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 1np0 h SER 434 CO -0.07 -0.21 0.15 0.03 -1.14 0.00 0.00 176.83 175.58 1np0 h ARG 435 N -0.52 0.31 -0.38 3.45 3.08 -0.96 0.33 114.38 119.69 1np0 h ARG 435 Ca -0.05 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1np0 h ARG 435 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1np0 h ARG 435 CO 0.08 0.20 0.07 0.28 -1.07 0.00 0.00 179.97 179.53 1np0 h VAL 436 N 0.32 1.23 -0.10 2.04 2.07 -1.02 -2.38 116.25 118.41 1np0 h VAL 436 Ca 0.23 -0.82 -0.16 0.00 0.82 0.00 0.00 66.70 66.76 1np0 h VAL 436 Cb 0.25 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1np0 h VAL 436 CO -0.24 0.28 -0.64 0.71 0.02 0.00 0.00 177.57 177.70 1np0 h THR 437 N 0.47 1.37 -0.94 2.57 1.35 -1.12 -2.85 112.91 113.76 1np0 h THR 437 Ca 0.12 -2.00 0.11 0.00 -0.55 0.00 0.00 66.41 64.09 1np0 h THR 437 Cb 0.34 1.99 -0.07 0.00 -1.73 0.00 0.00 68.15 68.68 1np0 h THR 437 CO 0.00 0.60 0.60 0.00 -0.25 0.00 0.00 175.52 176.47 1np0 h ALA 438 N 1.06 1.62 0.00 6.62 0.00 -0.15 -1.29 119.26 127.13 1np0 h ALA 438 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1np0 h ALA 438 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1np0 h ALA 438 CO 0.11 0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.95 1np0 n SER 439 N -4.57 0.00 0.00 0.00 7.64 -0.91 -4.90 113.62 110.88 1np0 n SER 439 Ca 0.17 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.50 1np0 n SER 439 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1np0 n SER 439 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1np0 n GLY 440 N 0.65 0.50 3.76 0.23 0.00 -0.49 -5.06 105.19 104.79 1np0 n GLY 440 Ca 0.09 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1np0 n GLY 440 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1np0 s PHE 441 N -2.00 3.38 0.46 1.61 0.08 -1.12 -4.75 117.98 115.64 1np0 s PHE 441 Ca 0.00 0.33 -0.24 0.00 0.12 0.00 0.00 56.93 57.14 1np0 s PHE 441 Cb 0.00 -1.92 -0.07 0.00 -0.57 0.00 0.00 43.02 40.45 1np0 s PHE 441 CO 0.00 0.53 1.33 -2.14 -0.10 0.00 0.00 175.22 174.84 1np0 s PRO 442 N -0.68 3.66 0.02 0.24 0.02 -1.26 -4.19 135.00 132.81 1np0 s PRO 442 Ca 0.12 2.19 0.06 0.00 0.02 0.00 0.00 61.00 63.39 1np0 s PRO 442 Cb -0.12 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.82 1np0 s PRO 442 CO 0.02 -0.76 -0.17 0.54 -0.33 0.00 0.00 177.00 176.31 1np0 s VAL 443 N -1.29 1.32 -0.10 3.83 0.11 0.21 -1.82 120.40 122.65 1np0 s VAL 443 Ca 0.62 -0.95 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 1np0 s VAL 443 Cb -0.39 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1np0 s VAL 443 CO 0.49 0.19 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.63 1np0 s ILE 444 N -0.67 1.71 -0.19 7.04 1.01 -0.80 -1.49 121.20 127.81 1np0 s ILE 444 Ca 0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1np0 s ILE 444 Cb -0.08 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1np0 s ILE 444 CO 0.01 0.48 0.11 -0.22 0.00 0.00 0.00 174.94 175.32 1np0 s LEU 445 N 0.71 4.11 0.00 2.97 2.96 -0.53 -0.65 118.68 128.26 1np0 s LEU 445 Ca -0.12 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1np0 s LEU 445 Cb -0.16 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1np0 s LEU 445 CO 0.02 0.19 0.00 -1.54 -1.32 0.00 0.00 176.35 173.70 1np0 n SER 446 N 3.45 0.32 -0.22 3.68 3.41 0.31 -1.53 113.62 123.05 1np0 n SER 446 Ca -0.16 -0.26 0.02 0.00 -0.26 0.00 0.00 58.87 58.21 1np0 n SER 446 Cb 0.52 0.58 0.13 0.00 -0.26 0.00 0.00 64.21 65.18 1np0 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1np0 h ALA 447 N 0.00 0.77 -0.04 7.33 0.00 -1.54 -1.57 119.26 124.21 1np0 h ALA 447 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1np0 h ALA 447 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1np0 h ALA 447 CO 0.00 -0.33 0.00 -0.35 0.00 0.00 0.00 179.25 178.57 1np0 n PRO 448 N -5.16 1.47 -2.73 0.00 -0.04 -1.26 -4.27 135.00 123.01 1np0 n PRO 448 Ca 0.11 -0.69 -0.26 0.00 -0.04 0.00 0.00 63.50 62.62 1np0 n PRO 448 Cb 0.37 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1np0 n PRO 448 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1np0 n TRP 449 N -0.15 3.55 -3.12 0.54 8.01 -0.59 -4.78 117.44 120.91 1np0 n TRP 449 Ca 0.19 -3.55 -0.45 0.00 -1.31 0.00 0.00 57.50 52.38 1np0 n TRP 449 Cb 0.27 -0.30 -0.02 0.00 -2.01 0.00 0.00 31.31 29.25 1np0 n TRP 449 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1np0 s TYR 450 N -3.46 3.50 -0.90 -5.99 1.51 -1.26 -1.04 117.35 109.72 1np0 s TYR 450 Ca 0.48 -1.81 0.17 0.00 -1.01 0.00 0.00 57.07 54.90 1np0 s TYR 450 Cb 0.34 -4.07 0.72 0.00 -0.11 0.00 0.00 41.96 38.84 1np0 s TYR 450 CO -0.16 -1.25 1.54 1.28 -1.11 0.00 0.00 175.55 175.86 1np0 n LEU 451 N 5.15 0.14 0.19 -1.29 4.77 0.69 -1.72 117.00 124.92 1np0 n LEU 451 Ca 0.22 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.79 1np0 n LEU 451 Cb 0.47 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 41.35 1np0 n LEU 451 CO 0.45 -0.30 0.68 -2.24 -1.33 0.00 0.00 177.39 174.65 1np0 h ASP 452 N 0.00 0.00 -1.38 -1.43 2.03 -1.83 -3.39 116.42 110.42 1np0 h ASP 452 Ca 0.00 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.61 1np0 h ASP 452 Cb 0.29 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.67 1np0 h ASP 452 CO 0.00 0.34 1.79 -0.76 -1.03 0.00 0.00 179.24 179.58 1np0 s LEU 453 N -6.81 4.24 0.62 0.15 1.43 -0.70 -4.98 118.68 112.64 1np0 s LEU 453 Ca 0.01 -2.48 -0.15 0.00 -1.03 0.00 0.00 54.13 50.49 1np0 s LEU 453 Cb 0.10 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 1np0 s LEU 453 CO 0.68 -1.07 1.06 0.27 0.23 0.00 0.00 176.35 177.52 1np0 s ILE 454 N 3.41 3.77 0.27 -0.59 -4.36 -1.26 -5.00 121.20 117.44 1np0 s ILE 454 Ca 0.48 0.78 -0.16 0.00 -0.26 0.00 0.00 60.65 61.50 1np0 s ILE 454 Cb 0.01 -3.34 0.01 0.00 1.25 0.00 0.00 42.46 40.39 1np0 s ILE 454 CO 0.03 -0.55 0.59 -0.94 0.24 0.00 0.00 174.94 174.30 1np0 s SER 455 N -2.95 -0.10 0.37 4.36 1.04 -1.26 -5.16 113.70 110.00 1np0 s SER 455 Ca 0.63 -0.85 -0.25 0.00 0.48 0.00 0.00 55.95 55.96 1np0 s SER 455 Cb -0.16 0.66 -0.09 0.00 0.10 0.00 0.00 66.02 66.53 1np0 s SER 455 CO 0.41 -1.26 1.07 -0.47 0.98 0.00 0.00 173.24 173.97 1np0 s TYR 456 N -3.83 3.33 0.00 5.02 5.04 -1.26 -4.86 117.35 120.79 1np0 s TYR 456 Ca 0.18 1.65 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 1np0 s TYR 456 Cb -0.03 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.10 1np0 s TYR 456 CO 0.09 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 174.05 1np0 n GLY 457 N 0.58 -1.74 2.73 8.97 0.00 -1.26 -4.62 105.19 109.84 1np0 n GLY 457 Ca 0.03 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1np0 n GLY 457 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1np0 n GLN 458 N 0.00 3.52 0.02 1.61 6.02 -1.26 -4.74 117.38 122.55 1np0 n GLN 458 Ca 0.00 -3.12 0.08 0.00 -0.01 0.00 0.00 57.00 53.94 1np0 n GLN 458 Cb 0.00 -2.99 0.33 0.00 1.02 0.00 0.00 30.24 28.60 1np0 n GLN 458 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1np0 n ASP 459 N 4.25 0.12 0.05 1.08 5.75 -1.26 -2.43 116.55 124.10 1np0 n ASP 459 Ca 0.50 0.53 0.06 0.00 -0.01 0.00 0.00 54.79 55.87 1np0 n ASP 459 Cb 0.35 -0.56 0.49 0.00 -1.03 0.00 0.00 41.12 40.36 1np0 n ASP 459 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1np0 h TRP 460 N 0.00 0.38 -0.58 2.11 5.08 -1.90 -2.47 115.95 118.57 1np0 h TRP 460 Ca 0.00 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.97 1np0 h TRP 460 Cb 0.26 -0.13 -0.03 0.00 -3.00 0.00 0.00 29.16 26.26 1np0 h TRP 460 CO 0.00 0.23 0.32 0.00 -1.28 0.00 0.00 178.44 177.72 1np0 h ARG 461 N 0.41 0.80 -0.57 0.12 3.08 -1.89 -0.53 114.38 115.80 1np0 h ARG 461 Ca 0.13 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1np0 h ARG 461 Cb 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1np0 h ARG 461 CO -0.03 0.61 0.01 1.57 -1.07 0.00 0.00 179.97 181.05 1np0 h LYS 462 N 0.78 1.00 -0.74 0.04 2.10 -1.64 0.02 116.57 118.13 1np0 h LYS 462 Ca 0.20 -0.31 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 1np0 h LYS 462 Cb 0.03 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 31.24 1np0 h LYS 462 CO -0.03 0.99 0.29 1.88 -2.00 0.00 0.00 179.45 180.57 1np0 h TYR 463 N 0.88 1.11 -0.31 0.07 0.05 -1.37 -2.99 116.97 114.42 1np0 h TYR 463 Ca 0.16 -0.08 -0.12 0.00 0.05 0.00 0.00 58.73 58.74 1np0 h TYR 463 Cb 0.54 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1np0 h TYR 463 CO 0.04 0.85 -0.30 -0.92 -1.05 0.00 0.00 178.16 176.78 1np0 h TYR 464 N 1.07 0.75 0.00 4.88 3.20 -0.72 -3.17 116.97 122.97 1np0 h TYR 464 Ca 0.25 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1np0 h TYR 464 Cb 0.21 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1np0 h TYR 464 CO 0.02 0.88 0.00 1.63 -1.64 0.00 0.00 178.16 179.05 1np0 n LYS 465 N -4.08 0.05 -1.89 1.82 5.02 -0.04 -4.78 118.16 114.26 1np0 n LYS 465 Ca -0.01 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 1np0 n LYS 465 Cb 0.46 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1np0 n LYS 465 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1np0 s VAL 466 N -3.06 2.42 -0.35 -0.18 1.01 -1.20 -4.98 120.40 114.05 1np0 s VAL 466 Ca 0.08 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1np0 s VAL 466 Cb 0.11 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.37 1np0 s VAL 466 CO 0.35 0.04 0.10 -0.70 0.00 0.00 0.00 175.10 174.89 1np0 s GLU 467 N 0.20 2.08 0.53 2.72 2.56 -1.26 -5.02 118.70 120.51 1np0 s GLU 467 Ca 0.65 -1.61 0.25 0.00 0.00 0.00 0.00 54.97 54.26 1np0 s GLU 467 Cb -0.45 -3.36 1.46 0.00 2.00 0.00 0.00 34.13 33.78 1np0 s GLU 467 CO 0.40 -0.87 2.12 -1.35 -0.56 0.00 0.00 175.26 175.00 1np0 h PRO 468 N 7.95 0.00 -0.14 4.30 0.11 -1.95 -2.57 132.00 139.71 1np0 h PRO 468 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1np0 h PRO 468 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1np0 h PRO 468 CO 0.60 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 1np0 n LEU 469 N -3.91 1.25 -3.93 2.35 4.77 -1.26 -4.57 117.00 111.70 1np0 n LEU 469 Ca -0.02 -0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 1np0 n LEU 469 Cb 0.18 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1np0 n LEU 469 CO 0.31 0.27 2.47 0.47 -1.33 0.00 0.00 177.39 179.58 1np0 n ASP 470 N 0.06 3.99 -3.91 -1.43 8.00 -0.97 -4.82 116.55 117.48 1np0 n ASP 470 Ca 0.15 -2.84 -0.09 0.00 0.71 0.00 0.00 54.79 52.71 1np0 n ASP 470 Cb 0.25 -1.64 -0.08 0.00 -0.02 0.00 0.00 41.12 39.64 1np0 n ASP 470 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1np0 s PHE 471 N 3.71 0.27 0.08 1.24 -0.12 -1.26 -4.86 117.98 117.04 1np0 s PHE 471 Ca 0.50 -0.69 -0.31 0.00 -0.05 0.00 0.00 56.93 56.38 1np0 s PHE 471 Cb 0.12 -0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.34 1np0 s PHE 471 CO -0.03 -0.57 1.22 0.20 -0.05 0.00 0.00 175.22 175.99 1np0 s GLY 472 N -2.90 2.40 0.00 1.99 0.00 -1.26 -4.98 107.32 102.57 1np0 s GLY 472 Ca 0.09 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1np0 s GLY 472 CO -0.08 2.05 0.00 0.61 0.00 0.00 0.00 173.10 175.68 1np0 n GLY 473 N 3.11 2.50 2.88 0.20 0.00 -1.26 -4.44 105.19 108.18 1np0 n GLY 473 Ca 0.09 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 1np0 n GLY 473 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1np0 n THR 474 N -0.91 0.00 -0.09 2.61 -2.24 -1.26 -4.85 114.28 107.54 1np0 n THR 474 Ca 0.00 -0.64 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1np0 n THR 474 Cb 0.00 -1.49 -0.04 0.00 -2.10 0.00 0.00 70.33 66.70 1np0 n THR 474 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1np0 h GLN 475 N 0.00 0.50 -0.39 -0.78 4.20 -2.01 -2.57 115.11 114.07 1np0 h GLN 475 Ca -0.33 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 1np0 h GLN 475 Cb 0.93 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1np0 h GLN 475 CO 0.23 0.69 0.19 0.87 -0.67 0.00 0.00 178.83 180.14 1np0 h LYS 476 N 0.27 0.53 -0.28 1.46 1.57 -1.99 -0.60 116.57 117.53 1np0 h LYS 476 Ca 0.07 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1np0 h LYS 476 Cb 0.48 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1np0 h LYS 476 CO 0.02 0.41 0.06 1.96 -0.57 0.00 0.00 179.45 181.33 1np0 h GLN 477 N 0.54 0.46 0.00 3.15 4.20 -1.86 -3.15 115.11 118.45 1np0 h GLN 477 Ca 0.14 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1np0 h GLN 477 Cb 0.05 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1np0 h GLN 477 CO -0.02 0.56 -0.45 0.87 -0.67 0.00 0.00 178.83 179.12 1np0 h LYS 478 N 0.29 0.00 0.00 1.46 1.57 -1.00 -2.31 116.57 116.58 1np0 h LYS 478 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1np0 h LYS 478 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1np0 h LYS 478 CO 0.00 0.45 -0.08 1.96 -0.57 0.00 0.00 179.45 181.21 1np0 h GLN 479 N 0.00 0.00 0.00 3.15 4.20 -1.11 -1.06 115.11 120.29 1np0 h GLN 479 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1np0 h GLN 479 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1np0 h GLN 479 CO 0.06 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.58 1np0 n LEU 480 N -3.87 0.08 -4.60 1.46 4.77 -0.87 -4.57 117.00 109.39 1np0 n LEU 480 Ca -0.02 0.51 -0.43 0.00 -0.03 0.00 0.00 56.01 56.04 1np0 n LEU 480 Cb 0.17 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1np0 n LEU 480 CO 0.30 -0.16 1.05 0.12 -1.33 0.00 0.00 177.39 177.37 1np0 s PHE 481 N -3.02 2.76 -1.45 -1.77 2.19 -0.40 -0.62 117.98 115.67 1np0 s PHE 481 Ca 0.10 0.67 0.17 0.00 0.33 0.00 0.00 56.93 58.20 1np0 s PHE 481 Cb 0.14 -4.45 -0.03 0.00 -1.31 0.00 0.00 43.02 37.36 1np0 s PHE 481 CO 0.40 -1.36 0.86 0.44 1.83 0.00 0.00 175.22 177.39 1np0 n ILE 482 N 6.85 0.00 -1.46 3.12 -5.35 -0.55 -4.94 119.36 117.03 1np0 n ILE 482 Ca 0.12 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1np0 n ILE 482 Cb 0.49 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 1np0 n ILE 482 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1np0 n GLY 483 N 1.22 -0.09 3.78 3.28 0.00 -1.24 -1.36 105.19 110.78 1np0 n GLY 483 Ca 0.06 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1np0 n GLY 483 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1np0 s GLY 484 N 0.00 0.36 0.00 -0.02 0.00 0.38 -1.45 107.32 106.59 1np0 s GLY 484 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1np0 s GLY 484 CO 0.00 -0.34 -0.01 -0.54 0.00 0.00 0.00 173.10 172.21 1np0 s GLU 485 N -2.91 0.08 -0.18 2.90 2.02 -0.58 -1.57 118.70 118.46 1np0 s GLU 485 Ca 0.16 -0.12 -0.15 0.00 0.02 0.00 0.00 54.97 54.88 1np0 s GLU 485 Cb -0.05 -0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 1np0 s GLU 485 CO 0.11 0.00 0.37 0.00 0.02 0.00 0.00 175.26 175.76 1np0 s ALA 486 N -0.25 3.56 -0.13 5.21 0.00 -0.10 -4.40 121.76 125.65 1np0 s ALA 486 Ca -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1np0 s ALA 486 Cb -0.02 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1np0 s ALA 486 CO -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 175.76 175.52 1np0 s LEU 488 N 0.25 3.80 0.57 0.00 2.96 -0.92 -0.22 118.68 125.12 1np0 s LEU 488 Ca -0.07 -3.39 -0.19 0.00 -0.22 0.00 0.00 54.13 50.27 1np0 s LEU 488 Cb -0.15 -1.33 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 1np0 s LEU 488 CO 0.04 -0.15 1.17 0.26 -1.32 0.00 0.00 176.35 176.36 1np0 s TRP 489 N -0.71 2.51 -2.52 5.38 0.52 -1.26 -3.97 118.94 118.88 1np0 s TRP 489 Ca 0.24 1.53 0.23 0.00 0.02 0.00 0.00 56.10 58.12 1np0 s TRP 489 Cb -0.10 -3.40 0.55 0.00 -1.15 0.00 0.00 33.47 29.37 1np0 s TRP 489 CO -0.12 -1.93 1.46 0.41 0.02 0.00 0.00 176.95 176.79 1np0 n GLY 490 N 0.35 0.96 0.31 0.98 0.00 -1.26 -4.49 105.19 102.03 1np0 n GLY 490 Ca 0.13 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.63 1np0 n GLY 490 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1np0 h GLU 491 N 3.60 0.52 -0.26 1.61 3.07 -1.93 -2.58 114.58 118.62 1np0 h GLU 491 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1np0 h GLU 491 Cb 0.78 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1np0 h GLU 491 CO 0.00 0.35 0.00 0.66 -1.40 0.00 0.00 179.01 178.62 1np0 n TYR 492 N -4.93 0.54 -4.79 4.33 4.01 -1.26 -4.96 117.16 110.10 1np0 n TYR 492 Ca 0.18 -0.66 -0.28 0.00 -0.16 0.00 0.00 57.90 56.98 1np0 n TYR 492 Cb 0.49 -0.13 -0.17 0.00 -0.31 0.00 0.00 39.34 39.22 1np0 n TYR 492 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1np0 s VAL 493 N -1.73 1.54 0.00 -0.72 1.01 -0.97 -4.99 120.40 114.54 1np0 s VAL 493 Ca 0.28 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1np0 s VAL 493 Cb 0.19 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1np0 s VAL 493 CO 0.11 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 174.75 1np0 n ASP 494 N 3.79 0.00 0.17 3.32 5.68 -1.26 -4.54 116.55 123.70 1np0 n ASP 494 Ca -0.21 -0.94 0.18 0.00 -0.50 0.00 0.00 54.79 53.32 1np0 n ASP 494 Cb 0.52 0.00 0.80 0.00 -1.14 0.00 0.00 41.12 41.30 1np0 n ASP 494 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1np0 h ALA 495 N 1.20 1.91 0.00 2.12 0.00 -1.97 0.22 119.26 122.74 1np0 h ALA 495 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1np0 h ALA 495 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1np0 h ALA 495 CO 0.00 -0.41 -0.48 1.79 0.00 0.00 0.00 179.25 180.14 1np0 h THR 496 N 0.00 1.30 0.00 0.00 1.35 -2.00 -3.38 112.91 110.18 1np0 h THR 496 Ca 0.12 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1np0 h THR 496 Cb 0.68 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1np0 h THR 496 CO -0.00 0.47 0.00 -0.46 -0.25 0.00 0.00 175.52 175.28 1np0 n ASN 497 N -3.89 0.42 0.22 5.36 6.94 -0.58 -4.90 115.26 118.82 1np0 n ASN 497 Ca -0.01 -0.90 -0.16 0.00 -0.02 0.00 0.00 54.58 53.48 1np0 n ASN 497 Cb 0.51 0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.91 1np0 n ASN 497 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1np0 h LEU 498 N 0.00 -1.23 -0.18 -4.53 6.46 -0.79 -2.82 115.31 112.22 1np0 h LEU 498 Ca 0.00 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1np0 h LEU 498 Cb 0.23 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1np0 h LEU 498 CO 0.00 -0.57 0.11 0.74 -0.62 0.00 0.00 178.44 178.10 1np0 h THR 499 N -0.82 1.09 -0.96 1.05 2.02 -1.85 -1.38 112.91 112.05 1np0 h THR 499 Ca -0.03 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1np0 h THR 499 Cb 0.76 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1np0 h THR 499 CO -0.12 0.08 0.64 -0.65 0.37 0.00 0.00 175.52 175.84 1np0 h PRO 500 N 0.21 1.25 -0.56 6.66 0.11 -1.63 -1.89 132.00 136.16 1np0 h PRO 500 Ca 0.07 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1np0 h PRO 500 Cb 0.04 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 1np0 h PRO 500 CO -0.01 0.83 -0.03 -0.09 -0.21 0.00 0.00 178.00 178.49 1np0 h ARG 501 N 1.29 0.99 -0.05 1.05 2.43 -1.21 -3.31 114.38 115.58 1np0 h ARG 501 Ca 0.35 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1np0 h ARG 501 Cb -0.14 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1np0 h ARG 501 CO -0.08 0.99 -0.22 1.25 -1.51 0.00 0.00 179.97 180.41 1np0 h LEU 502 N 0.90 0.27 -8.91 3.80 6.46 -1.14 -3.42 115.31 113.27 1np0 h LEU 502 Ca 0.16 -0.66 -0.69 0.00 -0.12 0.00 0.00 57.88 56.57 1np0 h LEU 502 Cb 0.57 -0.08 -0.23 0.00 -0.73 0.00 0.00 40.66 40.19 1np0 h LEU 502 CO 0.03 0.88 -0.77 0.26 -0.62 0.00 0.00 178.44 178.23 1np0 s TRP 503 N -3.60 2.71 -1.22 1.25 0.52 -0.72 -0.60 118.94 117.28 1np0 s TRP 503 Ca -0.15 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 55.89 1np0 s TRP 503 Cb 0.02 -1.63 0.31 0.00 -1.15 0.00 0.00 33.47 31.02 1np0 s TRP 503 CO 0.74 0.19 1.10 -0.35 0.02 0.00 0.00 176.95 178.65 1np0 n PRO 504 N 2.31 2.25 -0.28 4.98 -0.04 -1.26 -1.71 135.00 141.25 1np0 n PRO 504 Ca -0.17 -1.22 -0.05 0.00 -0.04 0.00 0.00 63.50 62.02 1np0 n PRO 504 Cb 0.52 -1.58 0.06 0.00 -0.04 0.00 0.00 33.50 32.46 1np0 n PRO 504 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1np0 h ARG 505 N 1.70 1.05 0.00 0.54 3.08 -1.76 -1.48 114.38 117.51 1np0 h ARG 505 Ca 0.00 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1np0 h ARG 505 Cb 0.83 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1np0 h ARG 505 CO 0.12 0.77 -0.17 0.00 -1.07 0.00 0.00 179.97 179.62 1np0 h ALA 506 N 1.23 1.18 -0.44 0.04 0.00 -1.17 -2.73 119.26 117.38 1np0 h ALA 506 Ca 0.27 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1np0 h ALA 506 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1np0 h ALA 506 CO -0.05 0.21 0.29 0.77 0.00 0.00 0.00 179.25 180.47 1np0 h SER 507 N 0.00 0.44 -0.93 0.00 0.02 -1.51 0.47 113.55 112.05 1np0 h SER 507 Ca -0.00 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1np0 h SER 507 Cb 0.49 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1np0 h SER 507 CO 0.02 0.31 0.61 0.00 -1.14 0.00 0.00 176.83 176.64 1np0 h ALA 508 N 1.74 1.37 -0.02 3.77 0.00 -1.50 -0.51 119.26 124.11 1np0 h ALA 508 Ca 0.17 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1np0 h ALA 508 Cb 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 17.51 1np0 h ALA 508 CO -0.04 0.56 -0.85 0.28 0.00 0.00 0.00 179.25 179.20 1np0 h VAL 509 N 1.22 1.33 -0.85 0.00 2.07 -1.34 -2.69 116.25 115.98 1np0 h VAL 509 Ca 0.36 -2.14 0.05 0.00 0.82 0.00 0.00 66.70 65.79 1np0 h VAL 509 Cb -0.06 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 1np0 h VAL 509 CO -0.09 0.65 0.54 1.23 0.02 0.00 0.00 177.57 179.91 1np0 h GLY 510 N 0.24 1.27 0.89 2.17 0.00 -0.60 0.35 103.07 107.38 1np0 h GLY 510 Ca -0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1np0 h GLY 510 CO 0.17 0.30 -0.01 -2.09 0.00 0.00 0.00 176.54 174.91 1np0 h GLU 511 N 1.01 0.55 -0.13 4.80 4.81 -1.12 -1.12 114.58 123.37 1np0 h GLU 511 Ca 0.36 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1np0 h GLU 511 Cb 0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1np0 h GLU 511 CO -0.15 0.70 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.72 1np0 h ARG 512 N 0.34 0.18 0.02 1.92 9.65 -1.09 0.16 114.38 125.56 1np0 h ARG 512 Ca 0.08 -0.02 -0.25 0.00 -1.10 0.00 0.00 59.98 58.69 1np0 h ARG 512 Cb 0.46 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 1np0 h ARG 512 CO 0.02 0.22 -1.28 -0.07 2.80 0.00 0.00 179.97 181.66 1np0 h LEU 513 N 0.18 0.07 0.00 3.80 3.38 -0.82 -3.39 115.31 118.53 1np0 h LEU 513 Ca 0.04 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1np0 h LEU 513 Cb 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1np0 h LEU 513 CO 0.00 1.08 -0.75 -0.25 0.09 0.00 0.00 178.44 178.61 1np0 h TRP 514 N 0.01 0.00 -4.35 1.13 2.91 -0.94 -2.66 115.95 112.05 1np0 h TRP 514 Ca -0.12 0.00 -0.47 0.00 1.13 0.00 0.00 58.89 59.43 1np0 h TRP 514 Cb 1.88 0.00 0.12 0.00 -0.51 0.00 0.00 29.16 30.65 1np0 h TRP 514 CO 0.01 1.07 0.34 -1.12 -1.03 0.00 0.00 178.44 177.71 1np0 s SER 515 N -6.45 3.96 0.70 2.65 0.01 0.54 -0.30 113.70 114.81 1np0 s SER 515 Ca -0.22 0.96 -0.16 0.00 1.31 0.00 0.00 55.95 57.84 1np0 s SER 515 Cb 0.03 -1.54 0.02 0.00 0.21 0.00 0.00 66.02 64.74 1np0 s SER 515 CO 0.53 -2.27 1.23 -0.44 0.41 0.00 0.00 173.24 172.70 1np0 s SER 516 N -4.17 4.32 0.31 2.44 0.01 -1.26 -4.54 113.70 110.81 1np0 s SER 516 Ca 0.63 2.44 0.08 0.00 1.31 0.00 0.00 55.95 60.40 1np0 s SER 516 Cb -0.14 -2.60 0.80 0.00 0.21 0.00 0.00 66.02 64.30 1np0 s SER 516 CO 0.52 -2.19 1.76 0.50 0.41 0.00 0.00 173.24 174.25 1np0 h LYS 517 N -0.03 0.67 -0.00 12.44 3.64 -1.95 -2.29 116.57 129.05 1np0 h LYS 517 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1np0 h LYS 517 Cb 1.31 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1np0 h LYS 517 CO 0.51 0.45 -0.11 -0.40 -2.27 0.00 0.00 179.45 177.62 1np0 n ASP 518 N -4.80 0.55 -4.55 4.20 5.68 -1.26 -4.70 116.55 111.66 1np0 n ASP 518 Ca 0.25 -0.67 -0.40 0.00 -0.50 0.00 0.00 54.79 53.46 1np0 n ASP 518 Cb 0.64 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 1np0 n ASP 518 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1np0 s VAL 519 N -2.42 3.61 0.00 2.12 1.01 -0.86 -4.66 120.40 119.20 1np0 s VAL 519 Ca 0.30 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1np0 s VAL 519 Cb 0.20 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1np0 s VAL 519 CO 0.46 -1.56 0.46 -2.11 0.00 0.00 0.00 175.10 172.35 1np0 n ARG 520 N 9.28 0.00 -2.06 2.72 1.85 -1.26 -4.95 116.66 122.24 1np0 n ARG 520 Ca 0.11 -0.19 -0.42 0.00 -1.00 0.00 0.00 57.85 56.35 1np0 n ARG 520 Cb 0.50 -0.11 -0.03 0.00 -1.05 0.00 0.00 32.46 31.77 1np0 n ARG 520 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1np0 s ASP 521 N -0.15 6.71 0.11 2.89 -1.08 -1.26 -4.91 116.67 118.98 1np0 s ASP 521 Ca 0.00 2.19 -0.14 0.00 -0.52 0.00 0.00 52.55 54.07 1np0 s ASP 521 Cb 0.00 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.86 1np0 s ASP 521 CO 0.00 -0.89 1.47 0.24 0.52 0.00 0.00 175.17 176.52 1np0 h MET 522 N 9.15 0.72 -0.69 4.34 2.86 -1.98 -1.03 114.93 128.31 1np0 h MET 522 Ca -0.38 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 56.96 1np0 h MET 522 Cb 1.17 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 1np0 h MET 522 CO 0.95 0.94 0.43 -0.44 1.06 0.00 0.00 176.91 179.85 1np0 h ASP 523 N 0.50 0.71 -0.11 1.22 3.32 -1.99 0.56 116.42 120.63 1np0 h ASP 523 Ca 0.07 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1np0 h ASP 523 Cb 0.73 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1np0 h ASP 523 CO 0.05 0.50 -0.24 -0.78 -1.72 0.00 0.00 179.24 177.05 1np0 h ASP 524 N 0.85 0.56 -0.32 6.45 3.58 -1.94 -2.07 116.42 123.53 1np0 h ASP 524 Ca 0.27 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1np0 h ASP 524 Cb 0.01 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1np0 h ASP 524 CO -0.10 0.79 0.02 0.00 -2.88 0.00 0.00 179.24 177.07 1np0 h ALA 525 N 1.25 0.43 -0.40 -0.78 0.00 -0.60 -2.19 119.26 116.98 1np0 h ALA 525 Ca 0.07 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1np0 h ALA 525 Cb 0.68 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1np0 h ALA 525 CO 0.05 0.16 0.21 -0.92 0.00 0.00 0.00 179.25 178.75 1np0 h TYR 526 N 0.37 0.38 0.22 0.00 3.20 -0.79 0.11 116.97 120.46 1np0 h TYR 526 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1np0 h TYR 526 Cb 0.40 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1np0 h TYR 526 CO 0.03 0.21 -0.11 -0.44 -1.64 0.00 0.00 178.16 176.21 1np0 h ASP 527 N 0.42 -0.25 -0.50 -2.11 3.32 -1.32 -1.04 116.42 114.93 1np0 h ASP 527 Ca 0.17 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1np0 h ASP 527 Cb 0.06 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1np0 h ASP 527 CO -0.11 -0.13 -0.01 0.03 -1.72 0.00 0.00 179.24 177.31 1np0 h ARG 528 N -0.36 0.94 -0.20 3.56 3.08 -1.31 -3.16 114.38 116.93 1np0 h ARG 528 Ca -0.03 -0.28 -0.20 0.00 0.07 0.00 0.00 59.98 59.53 1np0 h ARG 528 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1np0 h ARG 528 CO 0.05 0.94 -0.68 1.25 -1.07 0.00 0.00 179.97 180.46 1np0 h LEU 529 N 0.87 0.91 -1.47 3.04 5.85 -0.69 0.18 115.31 123.99 1np0 h LEU 529 Ca 0.16 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1np0 h LEU 529 Cb 0.52 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1np0 h LEU 529 CO 0.03 1.34 0.38 0.71 -0.34 0.00 0.00 178.44 180.55 1np0 h THR 530 N 0.57 1.11 0.05 1.05 1.35 -1.24 0.55 112.91 116.34 1np0 h THR 530 Ca -0.02 -0.24 -0.17 0.00 -0.55 0.00 0.00 66.41 65.42 1np0 h THR 530 Cb 1.29 0.33 0.02 0.00 -1.73 0.00 0.00 68.15 68.06 1np0 h THR 530 CO 0.14 0.13 -0.70 0.03 -0.25 0.00 0.00 175.52 174.88 1np0 h ARG 531 N 0.71 0.38 -0.99 4.72 3.08 -1.50 -2.33 114.38 118.45 1np0 h ARG 531 Ca 0.22 -0.48 0.06 0.00 0.07 0.00 0.00 59.98 59.84 1np0 h ARG 531 Cb 0.00 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1np0 h ARG 531 CO -0.05 1.16 0.65 1.25 -1.07 0.00 0.00 179.97 181.90 1np0 h HIS 532 N -0.18 1.20 -0.31 3.04 2.76 -0.22 -1.01 115.15 120.44 1np0 h HIS 532 Ca -0.10 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 1np0 h HIS 532 Cb 1.44 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 1np0 h HIS 532 CO 0.16 0.65 0.17 -0.09 -1.30 0.00 0.00 177.93 177.52 1np0 h ARG 533 N 1.20 0.43 -0.95 5.26 1.12 0.08 -1.59 114.38 119.92 1np0 h ARG 533 Ca 0.42 -0.05 0.04 0.00 -1.11 0.00 0.00 59.98 59.28 1np0 h ARG 533 Cb 0.11 -0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 29.93 1np0 h ARG 533 CO -0.15 0.36 0.62 0.00 -3.11 0.00 0.00 179.97 177.68 1np0 h ARG 535 N 1.19 1.13 -0.98 0.00 2.43 -0.97 -0.97 114.38 116.22 1np0 h ARG 535 Ca 0.38 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1np0 h ARG 535 Cb 0.02 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.28 1np0 h ARG 535 CO -0.13 0.82 0.64 0.52 -1.51 0.00 0.00 179.97 180.32 1np0 h MET 536 N 1.13 1.21 -0.16 0.20 2.86 -0.54 -2.05 114.93 117.59 1np0 h MET 536 Ca 0.29 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1np0 h MET 536 Cb 0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1np0 h MET 536 CO -0.05 0.80 0.06 0.28 1.06 0.00 0.00 176.91 179.06 1np0 h VAL 537 N 1.25 1.16 -0.81 -2.22 2.07 -0.73 0.14 116.25 117.10 1np0 h VAL 537 Ca 0.38 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.55 1np0 h VAL 537 Cb -0.03 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1np0 h VAL 537 CO -0.11 0.15 0.53 -0.33 0.02 0.00 0.00 177.57 177.82 1np0 h GLU 538 N 0.10 0.60 -0.45 1.57 5.08 -0.91 -1.25 114.58 119.32 1np0 h GLU 538 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1np0 h GLU 538 Cb 0.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1np0 h GLU 538 CO -0.00 0.40 0.00 0.54 -1.00 0.00 0.00 179.01 178.95 1np0 n ARG 539 N -4.52 1.90 -0.64 2.33 1.74 -0.80 -4.91 116.66 111.77 1np0 n ARG 539 Ca 0.15 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 1np0 n ARG 539 Cb 0.43 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1np0 n ARG 539 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1np0 n GLY 540 N 0.74 0.68 3.56 -0.13 0.00 -0.47 -5.05 105.19 104.52 1np0 n GLY 540 Ca 0.10 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1np0 n GLY 540 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1np0 s ILE 541 N -2.00 5.28 -1.50 -0.61 -1.09 0.46 -4.99 121.20 116.76 1np0 s ILE 541 Ca 0.00 -0.02 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 1np0 s ILE 541 Cb 0.00 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1np0 s ILE 541 CO 0.00 0.13 2.44 0.00 -1.23 0.00 0.00 174.94 176.28 1np0 n ALA 542 N 5.08 6.24 -1.98 9.38 0.00 -1.26 -2.68 120.51 135.28 1np0 n ALA 542 Ca -0.13 -3.81 -0.41 0.00 0.00 0.00 0.00 53.44 49.09 1np0 n ALA 542 Cb 0.51 -3.42 -0.04 0.00 0.00 0.00 0.00 19.45 16.50 1np0 n ALA 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1np0 s ALA 543 N 2.49 3.39 0.76 0.00 0.00 -1.26 -3.20 121.76 123.94 1np0 s ALA 543 Ca 0.54 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1np0 s ALA 543 Cb 0.15 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.96 1np0 s ALA 543 CO -0.07 -0.23 1.09 1.14 0.00 0.00 0.00 175.76 177.68 1np0 s GLN 544 N -0.62 2.37 0.82 0.00 -2.07 -0.69 -4.84 119.66 114.62 1np0 s GLN 544 Ca 0.49 0.65 -0.10 0.00 -1.82 0.00 0.00 55.36 54.57 1np0 s GLN 544 Cb -0.31 -1.95 0.08 0.00 -1.09 0.00 0.00 33.01 29.75 1np0 s GLN 544 CO 0.37 -1.42 1.11 -2.14 -1.32 0.00 0.00 175.29 171.88 1np0 s PRO 545 N -5.18 1.88 -0.12 9.60 0.02 -1.26 -4.36 135.00 135.58 1np0 s PRO 545 Ca 0.60 1.27 -0.06 0.00 0.02 0.00 0.00 61.00 62.83 1np0 s PRO 545 Cb -0.14 -1.85 -0.26 0.00 0.02 0.00 0.00 34.50 32.28 1np0 s PRO 545 CO 0.54 -1.94 0.36 1.28 -0.33 0.00 0.00 177.00 176.91 1np0 n LEU 546 N -3.74 2.59 0.00 -5.54 4.77 -1.26 -4.94 117.00 108.88 1np0 n LEU 546 Ca 0.10 0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1np0 n LEU 546 Cb 0.53 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1np0 n LEU 546 CO 0.52 0.84 0.05 0.00 -1.33 0.00 0.00 177.39 177.48 1np0 n TYR 547 N -3.46 -0.84 -1.71 -1.77 9.36 -1.26 -4.73 117.16 112.75 1np0 n TYR 547 Ca -0.32 -0.11 -0.37 0.00 3.32 0.00 0.00 57.90 60.42 1np0 n TYR 547 Cb 1.05 0.05 0.07 0.00 -0.63 0.00 0.00 39.34 39.88 1np0 n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1np0 n ALA 548 N -2.83 1.03 0.00 2.98 0.00 -1.26 -4.91 120.51 115.51 1np0 n ALA 548 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1np0 n ALA 548 Cb 0.04 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1np0 n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1np0 n GLY 549 N 0.97 0.14 3.77 0.00 0.00 -1.26 -5.16 105.19 103.65 1np0 n GLY 549 Ca 0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 1np0 n GLY 549 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1np0 s TYR 550 N -3.51 -0.13 0.39 1.61 1.13 -1.26 -5.18 117.35 110.41 1np0 s TYR 550 Ca 0.00 -0.19 0.08 0.00 -1.41 0.00 0.00 57.07 55.54 1np0 s TYR 550 Cb 0.00 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.46 1np0 s TYR 550 CO 0.00 -0.86 0.17 0.00 -2.51 0.00 0.00 175.55 172.36